SCHEMBL4504233

SCHEMBL4504233

O=C(O)c1cc2ccc(OCc3ccccc3)cc2n2nnnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.50
SRD5A2 P31213 2/20 0.46
ALOX5 P09917 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
MCL1 Q07820 1/20 0.43
MAOB P27338 1/20 0.43
NR4A2 P43354 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
DHODH Q02127 2/20 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
SCHEMBL4488000 0.82 ALOX5 (0.44) SRD5A2ALOX5MAOBALDH1A1MEN1
SCHEMBL4499753 0.81 ALDH1A1 (0.45) SLC16A3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4499382 0.79 ALDH1A1 (0.47) MCL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4495523 0.74 TNKS (0.39) MCL1ALDH1A1HPGDKDM4ECYP2C9
SCHEMBL4482553 0.74 CUL4A (0.52) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL4500067 0.72 TNKS (0.40) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL629641 0.72 SLC16A3 (0.62) SLC16A3SRD5A2ALOX5MRGPRX4CTSV
SCHEMBL1962121 0.70 CTSV (0.42) SRD5A2CTSVCTSLMAOBMEN1
SCHEMBL14209282 0.70 LDHA (0.48) MCL1MAOBALDH1A1HPGDMEN1
SCHEMBL13762775 0.70 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10MEN1

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 SLC16A3 1657/4885SRD5A2 2117/4885ALOX5 2884/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 SLC16A3 1657/4885SRD5A2 2117/4885ALOX5 2884/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS SLC16A3 1915/4885SRD5A2 2096/4885ALOX5 644/4885

“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.