SCHEMBL925856

SCHEMBL925856

CC(C)Sc1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ AR P10275 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL4302752 0.79 DAO (0.44) CYP3A4CASP1RECQLTDP1MAOA
SCHEMBL24265135 0.78 NOS1 (0.41) CYP3A4ALDH1A1CA12CA1CA2
SCHEMBL1178110 0.77 EPHX1 (0.45) ALDH1A1KDM4ELMNA
SCHEMBL13562371 0.76 ACHE (0.48) CYP3A4ALDH1A1TDP1ARTP53
SCHEMBL28990905 0.75 CYP3A4 (0.42) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL112315 0.75 — —
SCHEMBL29671351 0.75 — —
SCHEMBL3480429 0.74 AR (0.36) MAOAAR
SCHEMBL3093787 0.74 MAOA (0.55) ALDH1A1CA1CA2CA7CA9
SCHEMBL18720480 0.74 HDAC4 (0.42) CYP3A4ALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023112764-A1 RELEASE LAYER-FORMING COMPOSITION AND RELEASE LAYER 日産化学株式会社 2023-06-22 — — WO disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 — — US disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 — — WO disclosed
WO-2018116073-A1 1, 2, 3-THIADIAZOLE COMPOUNDS AND THEIR USE AS CROP PROTECTING AGENT PI INDUSTRIES LTD. (IN) 2018-06-28 — — WO disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — US disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 — — WO disclosed
US-7875609-B2 3-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea; treatment of the cancer of the parathyroid and the digestive tract; osteoporosis, osteopaenia and Paget's disease, rheumatoid arthritis and osteoarthritis GALAPAGOS SASU (FR) 2011-01-25 — — US disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 — — US disclosed
EP-1965805-B1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2009-12-02 — — EP disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 — — US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 — — US disclosed
EP-1965805-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS Proskelia SAS (FR) 2008-09-10 — — EP disclosed
US-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them PROSKELIA SAS. (FR) 2007-08-02 — — US disclosed
WO-2007060026-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2007-05-31 — — WO disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 — — US disclosed
US-4006161-A SEDATIVE, TRANQUILIZER ELI LILLY AND COMPANY (US) 1977-02-01 — — 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 (6 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD CYP3A4 795/4885CASP1 931/4885RECQL 377/4885
US-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them UTS2R, CACNA1A, CACNA1E CYP3A4 869/4885CASP1 1232/4885RECQL 332/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CYP3A4 795/4885CASP1 931/4885RECQL 377/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CYP3A4 795/4885CASP1 931/4885RECQL 377/4885
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM CYP3A4 2537/4885CASP1 3330/4885RECQL 19/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 CYP3A4 2429/4885CASP1 2229/4885RECQL 632/4885

“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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