SCHEMBL1782141

SCHEMBL1782141

CN(C)C(=O)c1ccc(NN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HTT P42858 2/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TSHR P16473 2/20 0.40

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
SCHEMBL1004649 0.82 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HPGDHTTMAPT
SCHEMBL5013530 0.81 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1
SCHEMBL19459308 0.81 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1
SCHEMBL13123445 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1
SCHEMBL8167445 0.79 HPGD (0.50) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL15124764 0.78 HTT (0.53) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1
SCHEMBL10310288 0.77 F2 (0.50) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1
SCHEMBL25124451 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1
SCHEMBL24164417 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1
SCHEMBL9479734 0.76 MAPK13 (0.60) SMN1; SMN2ALDH1A1HPGDHTTCSNK2A1

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 10 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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 — — US disclosed
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-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 — — 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
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 — — US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 — — US disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 — — 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R SMN1; SMN2 1428/4885ALDH1A1 54/4885HPGD 998/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R SMN1; SMN2 1428/4885ALDH1A1 54/4885HPGD 998/4885

“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.

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