SCHEMBL10103045

SCHEMBL10103045

CCSC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cncnc1)CC2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CFTR P13569 2/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL10103042 0.89 RAB9A (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14365580 0.87 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3273615 0.85 LMNA (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3279143 0.83 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3279154 0.82 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14365582 0.82 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14365583 0.81 NPC1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL691247 0.79 RAB9A (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL692065 0.79 NPC1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12598927 0.78 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2TP53

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-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 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 (1 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-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R ALDH1A1 41/4885NPC1 118/4885RAB9A 2131/4885

“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.