SCHEMBL1412432

SCHEMBL1412432

O=C(CSc1nc2ccccc2s1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
MAPT P10636 8/20 1.00
HPGD P15428 5/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
HSD17B10 Q99714 3/20 0.78
MAPK1 P28482 1/20 0.78
RECQL P46063 2/20 0.64
POLB P06746 1/20 0.64
APEX1 P27695 1/20 0.64
NPSR1 Q6W5P4 2/20 0.64
TSHR P16473 2/20 0.64
THRB P10828 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL1412334 0.99 ALDH1A1 (0.97) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL16921246 0.85 ALDH1A1 (1.00) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL1412471 0.85 ALDH1A1 (0.74) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL2017324 0.85 ALDH1A1 (1.00) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL2020656 0.83 ALDH1A1 (1.00) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL1412333 0.83 ALDH1A1 (0.71) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL13096450 0.82 ALDH1A1 (0.69) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL1412273 0.82 ALDH1A1 (0.69) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL2017456 0.81 MAPT (0.75) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL1412284 0.80 MAPT (0.67) ALDH1A1MAPTHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US claimed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US claimed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US claimed
EP-2293671-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION Siga Technologies, Inc. (US) 2011-03-16 EP claimed
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 WO claimed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US disclosed
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US disclosed
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US disclosed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US disclosed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US disclosed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US disclosed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US disclosed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US disclosed
EP-2293671-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION Siga Technologies, Inc. (US) 2011-03-16 EP disclosed
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 WO disclosed
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 WO disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 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-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SNRPE, EIF2AK2, HAVCR2 ALDH1A1 3106/4885MAPT 219/4885HPGD 2186/4885
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION HAVCR2, HNRNPLL, SAMSN1 ALDH1A1 2694/4885MAPT 480/4885HPGD 2847/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 ALDH1A1 1652/4885MAPT 4858/4885HPGD 2753/4885

“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.