SCHEMBL6098080

SCHEMBL6098080

CSc1ccc(N)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP3A4 P08684 1/20 0.50
MCL1 Q07820 2/20 0.47
GAA P10253 6/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.41
ALOX12 P18054 3/20 0.38
RECQL P46063 2/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL4544572 0.84 ALDH1A1 (0.54) ALOX15HSD17B10MCL1GAAMEN1
SCHEMBL715420 0.81 ALOX15 (0.54) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL29671389 0.81 ALOX15 (0.54) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL913855 0.78 TDP1 (0.46) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL2122382 0.78 MCL1 (0.57) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL27313531 0.77 ALOX15 (0.50) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL10972114 0.77 ALOX15 (0.45) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL2886061 0.76 ALOX15 (0.48) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL17267878 0.76 ALOX15 (0.48) ALOX15HSD17B10CYP3A4MCL1GAA
SCHEMBL7399104 0.74 MCL1 (0.48) ALOX15HSD17B10CYP3A4MCL1GAA

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
WO-2021061643-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-04-01 WO disclosed
US-10317386-B2 Determination of aqueous nitrate concentration HACH COMPANY (US) 2019-06-11 US disclosed
US-20180031536-A1 DETERMINATION OF AQUEOUS NITRATE CONCENTRATION HACH COMPANY 2018-02-01 US disclosed
US-7101876-B2 Substituted benzoxazines as integrin antagonists PHARMACIA CORPORATION (US) 2006-09-05 US disclosed
US-20040224948-A1 Novel substituted benzoxazines as integrin antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2004-11-11 US disclosed
US-6750215-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-06-15 US disclosed
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists POLSTER, RACHEL A. 2003-04-17 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 (4 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-20180031536-A1 DETERMINATION OF AQUEOUS NITRATE CONCENTRATION TST, NOS2, NOS3 ALOX15 1991/4885HSD17B10 1829/4885CYP3A4 96/4885
US-20040224948-A1 Novel substituted benzoxazines as integrin antagonists ITGB1, ITGA1, ITGB3 ALOX15 1856/4885HSD17B10 3190/4885CYP3A4 971/4885
US-10317386-B2 Determination of aqueous nitrate concentration TST, NOS2, NOS3 ALOX15 1991/4885HSD17B10 1829/4885CYP3A4 96/4885
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists ITGB1, ITGA1, ITGB3 ALOX15 1856/4885HSD17B10 3190/4885CYP3A4 971/4885

“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.