SCHEMBL5116735

SCHEMBL5116735

COc1cc2cc(C(=O)NOC3CCCCO3)c3nnnn3c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.35
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
TSHR P16473 3/20 0.35
USP2 O75604 3/20 0.35
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 6/20 0.34
LMNA P02545 3/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
ALOX15 P16050 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL5102482 0.88 NPSR1 (0.46) HSD17B10ALDH1A1NPSR1TSHRUSP2
SCHEMBL5109037 0.84 HSD17B10 (0.40) HSD17B10ALDH1A1TSHRTGFBR1KDM4E
SCHEMBL5106704 0.84 EGFR (0.38) HSD17B10ALDH1A1NPSR1TSHRUSP2
SCHEMBL4491044 0.84 CUL4A (0.36) HSD17B10ALDH1A1NPSR1TGFBR1KDM4E
SCHEMBL5115809 0.81 HPGDS (0.37) ALDH1A1NPSR1TSHRUSP2TGFBR1
SCHEMBL5108953 0.81 LMNA (0.37) HSD17B10ALDH1A1NPSR1TSHRUSP2
SCHEMBL5114296 0.79 LMNA (0.48) ALDH1A1NPSR1TSHRUSP2TGFBR1
SCHEMBL4502684 0.79 CCNA2 (0.35) HSD17B10ALDH1A1NPSR1TSHRTGFBR1
SCHEMBL5115683 0.78 CCNA2 (0.36) ALDH1A1TGFBR1LMNACCNA2CDK2
SCHEMBL5114414 0.78 CCNA2 (0.43) HSD17B10ALDH1A1NPSR1TSHRTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US claimed
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

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 HSD17B10 1164/4885ALDH1A1 874/4885NPSR1 3998/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 HSD17B10 1164/4885ALDH1A1 874/4885NPSR1 3998/4885

“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.