SCHEMBL9428523

SCHEMBL9428523

COc1ccc(-c2ccc(N)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.73
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ IKBKB O14920 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2E1 P05181 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL1181273 0.85 APP (1.00) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL12973259 0.84 APP (1.00) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL14705443 0.83 APP (0.95) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL13446070 0.83 APP (0.95) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9430000 0.82 HDAC6 (0.55) APPALDH1A1KDM4EIKBKBCYP3A4
SCHEMBL14705615 0.81 APP (0.91) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL12973226 0.78 APP (0.83) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL1105472 0.78 APP (0.76) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL11522028 0.78 APP (0.83) APPALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9429302 0.77 APP (0.50) APPALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 — — US disclosed
EP-3990112-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI International (US) 2022-05-04 — — EP disclosed
CN-114269719-A Urea derivatives as CB1 allosteric modulators RTI国际 2022-04-01 — — CN disclosed
WO-2020264176-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2020-12-30 — — WO disclosed
EP-3524244-A1 BENZOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS Icahn School of Medicine at Mount Sinai (US) 2019-08-14 — — EP disclosed
CN-108299964-A Anti-aging coating of insulation for outdoor box switchyard and preparation method thereof 河南龙翔电气股份有限公司 2018-07-20 — — CN disclosed
CN-106373641-B Times bulky cables and preparation method thereof 河南开启电力实业有限公司 2017-12-05 — — CN disclosed
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 — — US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 — — US disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 — — EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 — — 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 (1 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-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 APP 4016/4885ALDH1A1 1661/4885KDM4E 935/4885

“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.

Send feedback