SCHEMBL11990074

SCHEMBL11990074

CCc1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.58
▸ HPGDS O60760 1/20 0.52
▸ WNT3A P56704 7/20 0.50
▸ CYP11B2 P19099 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ FYN P06241 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL17882026 0.81 MAOB (0.50) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL10263726 0.81 CYP11B1 (0.58) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL9602018 0.80 NPC1 (0.61) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL22540450 0.79 IDO1 (0.51) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL146559 0.79 NPC1 (0.65) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL31716043 0.79 WNT3A (0.60) CYP11B1HPGDSWNT3ACYP11B2SMN1; SMN2
SCHEMBL8174949 0.79 RAB9A (0.58) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL15304189 0.78 KDM1A (0.54) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL328396 0.78 HPGDS (0.56) CYP11B1HPGDSWNT3ANPC1RAB9A
SCHEMBL31716601 0.78 WNT3A (0.59) CYP11B1HPGDSWNT3ANPC1RAB9A

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 CYP11B1 4031/4885HPGDS 3557/4885WNT3A 4704/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 CYP11B1 1944/4885HPGDS 1604/4885WNT3A 1264/4885

“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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