SCHEMBL2954976

SCHEMBL2954976

Cc1csc(Br)c1Nc1nc2cc(F)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
MTOR P42345 1/20 0.33
ADORA2A P29274 1/20 0.33
LCK P06239 3/20 0.32
CSNK1D P48730 2/20 0.32
CSNK1G2 P78368 2/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
POLB P06746 1/20 0.32
KIT P10721 2/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2957865 0.99 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MAPTMTOR
SCHEMBL13237895 0.85 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTMTOR
SCHEMBL6219098 0.85 MTOR (0.33) NPC1RAB9ASMN1; SMN2MAPTMTOR
SCHEMBL2951463 0.85 HDAC11 (0.42) NPC1RAB9ASMN1; SMN2MAPTADORA2A
Hydrochloric Acid SCHEMBL2960061 0.84 MTOR (0.33) NPC1RAB9ASMN1; SMN2MAPTMTOR
SCHEMBL13237921 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2950411 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MAPTMTOR
Hydrochloric Acid SCHEMBL4576355 0.76 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTMTOR
SCHEMBL13237950 0.76 LCK (0.41) LCKGAA
SCHEMBL6196350 0.75 MTOR (0.34) NPC1RAB9ASMN1; SMN2MAPTMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763643-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US claimed
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-28 US claimed
US-7049333-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-23 US claimed
EP-1513834-B1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-03-15 EP claimed
EP-1513834-A1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2005-03-16 EP claimed
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 US claimed
WO-2003101984-A1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO claimed
US-7763643-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-7763643-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-7763643-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-28 US disclosed
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-28 US disclosed
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-28 US disclosed
US-7317033-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-20 US disclosed
US-7049333-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-23 US disclosed
EP-1513834-B1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-03-15 EP disclosed
EP-1513834-A1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2005-03-16 EP disclosed
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 US disclosed
WO-2003101984-A1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, CPS1, TST NPC1 238/4885RAB9A 3901/4885SMN1; SMN2 691/4885
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis TST, GOT2, ALPP NPC1 146/4885RAB9A 4244/4885SMN1; SMN2 780/4885
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis PLAT, TST, PNLIP NPC1 183/4885RAB9A 4313/4885SMN1; SMN2 694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.