SCHEMBL11990076

SCHEMBL11990076

CCc1ccc(Oc2ccc3ccccc3c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2A6 P11509 2/20 0.51
▸ HAO1 Q9UJM8 1/20 0.48
▸ ALOX5 P09917 1/20 0.42
▸ OXTR P30559 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ AGXT P21549 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8309377 0.85 AGXT (0.49) HAO1ALOX5THRBNPC1AGXT
SCHEMBL12844619 0.82 GRN (0.47) SMN1; SMN2MAPK1LTA4HALDH1A1MPO
SCHEMBL8736869 0.80 HAO1 (0.51) CYP1A2CYP2A6HAO1THRBRAB9A
SCHEMBL19362952 0.78 KDM4E (0.59) RAB9ASMN1; SMN2NPC1KDM4EMEN1
SCHEMBL12653312 0.77 OPRM1 (0.46) —
SCHEMBL12967186 0.76 MEN1 (0.58) RAB9ASMN1; SMN2NPC1KDM4EMEN1
SCHEMBL14349927 0.76 P2RX3 (0.48) HAO1SMN1; SMN2KDM4ETDP1
SCHEMBL11989279 0.76 THRB (0.55) HAO1THRBRAB9AMAPK1KDM4E
SCHEMBL13661727 0.75 MAP4K4 (0.45) RAB9ASMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL12653306 0.74 NPC1 (0.50) RAB9ASMN1; SMN2NPC1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 — — US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 — — US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 — — US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 — — US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 — — 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 CYP1A2 4142/4885CYP2A6 4115/4885HAO1 1478/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 CYP1A2 1421/4885CYP2A6 612/4885HAO1 2427/4885

“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.

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