SCHEMBL5027342

SCHEMBL5027342

Cc1ccsc1C=NNc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.47
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.47
GAA P10253 6/20 0.47
MAPT P10636 6/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
LMNA P02545 4/20 0.42
PKM P14618 3/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
PAX8 Q06710 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL5527953 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5527968 0.91 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5527970 0.91 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5029395 0.77 RAB9A (0.43) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5029392 0.77 RAB9A (0.43) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL14377455 0.75 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5088182 0.75 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5029757 0.71 IL2 (0.48) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5029759 0.71 IL2 (0.48) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL5529502 0.71 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
EP-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 SMN1; SMN2 4703/4885NPC1 634/4885RAB9A 1795/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 SMN1; SMN2 4703/4885NPC1 634/4885RAB9A 1795/4885

“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.