SCHEMBL5121758

SCHEMBL5121758

O=C1Nc2ccccc2C(=O)N2CCCC12

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
SCHEMBL7270310 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045511-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-08-24 — — EP disclosed
EP-2650274-B1 A thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2019-05-01 — — EP disclosed
EP-2650274-B1 A thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2019-05-01 — — EP disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 — — US disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 — — US disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 — — US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 — — US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 — — US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 — — US disclosed
US-20130303767-A1 THIONATING AGENT VIRONOVA THIONATION AB (SE) 2013-11-14 — — US disclosed
EP-2484655-A1 A thionation process and a thionating agent Vironova AB (SE) 2012-08-08 — — EP disclosed
EP-2484655-A1 A thionation process and a thionating agent Vironova AB (SE) 2012-08-08 — — EP disclosed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 — — US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 — — US disclosed
EP-1021190-B1 Amid derivatives as growth hormone release promotors KAKEN PHARMA CO LTD (JP) 2006-11-08 — — EP disclosed
EP-0059390-A1 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-3985732-A ANXIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1976-10-12 — — US disclosed
US-3968230-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1976-07-06 — — US disclosed
US-3947408-A ANTIANXIETY AGENTS AMERICAN CYANAMID COMPANY (US) 1976-03-30 — — US disclosed
US-3732212-A 1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO(2,1-C)(1,4)BENZODIAZEPINE-5,11-DIONES STERLING DRUG INC 1973-05-08 — — 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-20130303767-A1 THIONATING AGENT NT5E, NT5C2, NUDT5 ALDH1A1 3292/4885KDM4E 4699/4885MAPT 133/4885
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives GHRHR, NPPA, SSTR5 ALDH1A1 2890/4885KDM4E 3946/4885MAPT 3801/4885

“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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