SCHEMBL10260596

SCHEMBL10260596

Brc1cnc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
ALOX5 P09917 1/20 0.57
MAOB P27338 9/20 0.54
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
MAOA P21397 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
MTNR1A P48039 1/20 0.46
KMT2A Q03164 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL12470770 0.88 ALOX5 (0.57) CYP3A4ALOX5MAOBPDGFRBPDGFRA
SCHEMBL16047250 0.83 MAOB (0.54) CYP3A4ALOX5MAOBPDGFRBPDGFRA
SCHEMBL30864290 0.82 PDGFRB (0.60) CYP3A4ALOX5MAOBPDGFRBPDGFRA
SCHEMBL6966030 0.82 CYP3A4 (0.62) CYP3A4ALOX5MAOBPDGFRBPDGFRA
SCHEMBL18571362 0.81 CYP3A4 (0.61) CYP3A4ALOX5MAOBPDGFRBPDGFRA
SCHEMBL29576561 0.81 ALOX5 (0.73) CYP3A4ALOX5MAOBNPC1RAB9A
SCHEMBL2636350 0.81 ALOX5 (0.73) CYP3A4ALOX5MAOBNPC1RAB9A
SCHEMBL18571363 0.80 CYP3A4 (0.59) CYP3A4ALOX5MAOBPDGFRBPDGFRA
SCHEMBL17316167 0.79 HPGDS (0.62) CYP3A4ALOX5MAOBPDGFRBPDGFRA
SCHEMBL18572104 0.78 MAPT (0.45) CYP3A4MAOBPDGFRBPDGFRANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306737-A Benzo heterocyclic compound, pharmaceutically acceptable salt or stereoisomer thereof, and preparation method and application thereof 江苏集萃分子工程研究院有限公司 2025-01-14 CN disclosed
WO-2020063854-A1 QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS 南京明德新药研发有限公司 2020-04-02 WO disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P CYP3A4 4380/4885ALOX5 4071/4885MAOB 3684/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD CYP3A4 4317/4885ALOX5 2130/4885MAOB 1261/4885

“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.