SCHEMBL7270310

SCHEMBL7270310

O=C1Nc2ccccc2C(=O)N2CCC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ MAPT P10636 4/20 0.68
▸ GAA P10253 2/20 0.68
▸ HPGD P15428 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CRBN Q96SW2 2/20 0.48
▸ VCP P55072 1/20 0.46
▸ PARP1 P09874 3/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ CDK4 P11802 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DDB1 Q16531 1/20 0.44
▸ IKZF3 Q9UKT9 1/20 0.44

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
SCHEMBL7709727 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL5121758 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL5710904 0.95 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL10977219 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL10974936 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL10974938 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL11896998 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL11981360 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL26359031 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL26359034 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTGAAHPGD

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 — — US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 — — US disclosed
US-20070098631-A2 DIAGNOSTIC COMPOUNDS COMPRISING A SCAFFOLD COUPLED TO A SIGNAL ENTITY FOR MEDICAL IMAGING DIAGNOSTIC GUERBET (FR) 2007-05-03 — — US disclosed
US-20070098631-A2 DIAGNOSTIC COMPOUNDS COMPRISING A SCAFFOLD COUPLED TO A SIGNAL ENTITY FOR MEDICAL IMAGING DIAGNOSTIC GUERBET (FR) 2007-05-03 — — US disclosed
US-6362331-B1 PYRROLO(2,1-C)(1,4)BENZODIAZEPINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-03-26 — — US disclosed
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 — — EP disclosed
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 — — US disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 — — US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 — — EP disclosed
WO-1997001560-A1 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA, INC. (US) 1997-01-16 — — WO disclosed
EP-0059386-A2 Imidazodiazepines, intermediate products and process for their preparation, and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 — — EP disclosed
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 — — US disclosed
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 — — US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 — — US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 — — US disclosed
US-4346030-A ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 — — US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 — — US disclosed
US-4346033-A Thienodiazepinone and benzodiazepinone intermediates HOFFMANN-LA ROCHE INC. (US) 1982-08-24 — — US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 — — US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 — — EP 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-20070098631-A2 DIAGNOSTIC COMPOUNDS COMPRISING A SCAFFOLD COUPLED TO A SIGNAL ENTITY FOR MEDICAL IMAGING DIAGNOSTIC HTR3D, BRD4, CNR1 ALDH1A1 639/4885KDM4E 2425/4885MAPT 3145/4885
US-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 ALDH1A1 4229/4885KDM4E 2996/4885MAPT 4322/4885

“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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