SCHEMBL1781609

SCHEMBL1781609

CCOC(=O)Nc1nc2c(s1)C(=O)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
PARP1 P09874 1/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL1118025 0.87 TSHR (0.62) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL691361 0.85 TSHR (0.67) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1782693 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3273226 0.83 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL172155 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6067925 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL11228337 0.81 TSHR (0.74) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1117993 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1771243 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3277209 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R ALDH1A1 54/4885SMN1; SMN2 1428/4885NPC1 136/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R ALDH1A1 54/4885SMN1; SMN2 1428/4885NPC1 136/4885

“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.