SCHEMBL4499753

SCHEMBL4499753

COc1ccc2cc(C(=O)O)c3nnnn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SLC16A3 O15427 1/20 0.44
HPGD P15428 6/20 0.43
POLB P06746 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 8/20 0.42
FABP4 P15090 1/20 0.42
HSD17B10 Q99714 2/20 0.42
CCR2 P41597 1/20 0.41
GAA P10253 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4499382 0.88 ALDH1A1 (0.47) ALDH1A1POLBNPSR1GAAMAPT
SCHEMBL5101900 0.86 ALDH1A1 (0.43) ALDH1A1HPGDPOLBNPSR1TSHR
SCHEMBL4488936 0.83 MAPT (0.50) ALDH1A1NPSR1TSHRKDM4EGAA
SCHEMBL4498874 0.82 KDM4E (0.43) ALDH1A1HPGDNPSR1KDM4EHSD17B10
SCHEMBL4504233 0.81 SLC16A3 (0.50) ALDH1A1SLC16A3HPGDKDM4EHSD17B10
SCHEMBL4482553 0.80 CUL4A (0.52) ALDH1A1HPGDTSHRKDM4ECCR2
SCHEMBL4495523 0.80 TNKS (0.39) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL4500067 0.80 TNKS (0.40) ALDH1A1POLBKDM4EGAAMAPT
SCHEMBL4482499 0.80 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1TSHRGAA
SCHEMBL4497665 0.78 MEN1 (0.55) ALDH1A1HPGDNPSR1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 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 (3 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 ALDH1A1 874/4885SLC16A3 1657/4885HPGD 3133/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 ALDH1A1 874/4885SLC16A3 1657/4885HPGD 3133/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS ALDH1A1 2575/4885SLC16A3 1915/4885HPGD 734/4885

“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.