SCHEMBL4550801

SCHEMBL4550801

CNc1ccc(C(=O)C2=C(O)c3sc(NC(=O)OC)nc3CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HCAR3 P49019 1/20 0.38
NNMT P40261 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 2/20 0.35
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 3/20 0.33

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
SCHEMBL1784359 0.90 HCAR3 (0.40) HCAR3NNMTSMN1; SMN2MAPTLMNA
SCHEMBL1117940 0.90 HCAR3 (0.43) HCAR3NNMTSMN1; SMN2MAPTCDK2
SCHEMBL4550899 0.88 TSHR (0.40) TSHRSMN1; SMN2MAPTLMNANPSR1
SCHEMBL1117951 0.87 TSHR (0.40) TSHRSMN1; SMN2MAPTLMNANPSR1
SCHEMBL1117947 0.85 HCAR3 (0.42) HCAR3NNMTCCNT1CDK1CDK4
SCHEMBL1118036 0.85 HCAR3 (0.36) HCAR3NNMTSMN1; SMN2MAPTALDH1A1
SCHEMBL1782452 0.80 HCAR3 (0.44) HCAR3MAPTLMNAALDH1A1GAA
SCHEMBL1117942 0.80 HTT (0.44) SMN1; SMN2MAPTLMNANPSR1HTT
SCHEMBL1117883 0.80 HCAR3 (0.41) HCAR3SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL1781674 0.80 HCAR3 (0.47) HCAR3MAPTLMNAALDH1A1KDM4E

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 4 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
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 TSHR 378/4885HCAR3 2774/4885NNMT 1096/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R TSHR 378/4885HCAR3 2774/4885NNMT 1096/4885

“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.