SCHEMBL2862259

SCHEMBL2862259

Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
GPR6 P46095 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.42
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.40
PDPK1 O15530 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL14267341 0.83 LMNA (0.52) NPC1RAB9AMAPTPTGS1PTGS2
SCHEMBL17141449 0.83 MAPT (0.59) NPC1RAB9AMAPTPTGS1PTGS2
SCHEMBL3233511 0.81 SMN1; SMN2 (0.43) ACHEGPR6NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL26127692 0.81 MAPT (0.58) NPC1RAB9AMAPTPTGS1PTGS2
SCHEMBL25213232 0.81 MAPT (0.43) ACHENPC1RAB9AMAPTPTGS1
SCHEMBL3233521 0.80 MAPT (0.45) ACHEGPR6NPC1RAB9AMAPT
SCHEMBL14539407 0.80 ALDH1A1 (0.44) ACHEGPR6NPC1RAB9AMAPT
SCHEMBL13990659 0.78 LMNA (0.41) ACHEGPR6NPC1RAB9AMAPT
SCHEMBL4883305 0.77 MAPT (0.57) ACHEGPR6NPC1RAB9AMAPT
SCHEMBL24303296 0.77 TRPC3 (0.61) ACHENPC1RAB9AMAPTSMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601617-A Orthodiazacycle compounds, and preparation method and application thereof BIOLOGY INST OF SHANDONG ACAD OF SCIENCES 2016-05-25 CN claimed
CN-105601617-B A kind of neighbour's diazacyclo compound and the preparation method and application thereof 山东省科学院生物研究所 2019-02-22 CN disclosed
CN-105601617-A Orthodiazacycle compounds, and preparation method and application thereof BIOLOGY INST OF SHANDONG ACAD OF SCIENCES 2016-05-25 CN disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1451160-A4 PYRAZOLE-AMIDES AND-SULFONAMIDES ICAGEN INC (US) 2005-04-20 EP disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
EP-1451160-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES Icagen, Inc. (US) 2004-09-01 EP disclosed
WO-2003037274-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES ICAGEN, INC. (US) 2003-05-08 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ACHE 595/4885GPR6 3106/4885NPC1 3322/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ACHE 595/4885GPR6 3106/4885NPC1 3322/4885

“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.