SCHEMBL4493629

SCHEMBL4493629

COCCOC(=O)c1cc2cccc(Cl)c2n2nnnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 5/20 0.37
GLA P06280 4/20 0.37
GAA P10253 4/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
ALOX15 P16050 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.35
USP2 O75604 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL4501498 0.89 ALDH1A1 (0.35) TSHRALDH1A1KDM4EGLAHPGD
SCHEMBL5142018 0.88 ALDH1A1 (0.46) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL4502554 0.88 MAPT (0.43) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL4498728 0.87 ALDH1A1 (0.38) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL4485651 0.85 ALDH1A1 (0.36) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4501185 0.85 FNTA (0.34) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL4507371 0.79 ALDH1A1 (0.35) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL4502155 0.79 CCR2 (0.39) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4503746 0.79 CCNA2 (0.36) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL5101854 0.78 HDAC6 (0.40) TSHRALDH1A1HPGDMAPTPKM

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-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

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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 TSHR 4388/4885ALDH1A1 874/4885KDM4E 3202/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS TSHR 4492/4885ALDH1A1 2575/4885KDM4E 4239/4885

“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.