SCHEMBL4947342

SCHEMBL4947342

[NH]C(=O)CNc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CYP1A1 P04798 2/20 0.43
CYP3A4 P08684 2/20 0.43
PEPD P12955 1/20 0.43
CA12 O43570 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43
MB P02144 1/20 0.43
CA3 P07451 1/20 0.43
RARG P13631 1/20 0.43
TSHR P16473 1/20 0.43
ALOX5AP P20292 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
NR1I3 Q14994 1/20 0.43

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
SCHEMBL10886175 0.81 MAPT (0.48) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL9743702 0.80 CYP1A1 (0.52) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL9745051 0.80 CYP1A1 (0.52) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL9745182 0.80 CYP1A1 (0.52) ALDH1A1MEN1MAPTKMT2ACA1
Hydrochloric Acid SCHEMBL11326485 0.80 CYP1A1 (0.52) ALDH1A1MEN1MAPTKMT2ACA1
Hydrochloric Acid SCHEMBL4820901 0.80 CYP1A1 (0.52) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL22354 0.80 CYP1A1 (0.52) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL4946799 0.80 ERCC1 (0.47) ALDH1A1MEN1MAPTKMT2ACA1
Benzene SCHEMBL11193867 0.78 CYP1A1 (0.50) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL11973849 0.78 CYP1A1 (0.50) ALDH1A1MEN1MAPTKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
EP-1319642-B1 Method of Preparing a Halogenated Compound OTSUKA KAGAKU KK (JP) 2008-03-26 EP disclosed
EP-1132391-B1 PROCESS FOR THE PREPARATION OF 3-SULFONYLOXY-3-CEPHEM COMPOUNDS OTSUKA KAGAKU KK (JP) 2006-11-15 EP disclosed
EP-1447406-B1 3-Cephem derivative crystal OTSUKA KAGAKU KK (JP) 2006-08-09 EP disclosed
US-6887992-B2 3-cephem derivative crystal OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
EP-1447406-A1 3-Cephem derivative crystal OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2004-08-18 EP disclosed
EP-0976700-B1 PROCESS FOR HALOGENATING HYDROXYL GROUP OTSUKA KAGAKU KK (JP) 2004-07-28 EP disclosed
EP-1061082-B1 PROCESS FOR THE PREPARATION OF BETA-HYDROXY ESTERS OTSUKA KAGAKU KK (JP) 2004-07-14 EP disclosed
EP-1227100-B1 3-CEPHEM DERIVATIVE CRYSTAL AND METHOD FOR PREPARING THE SAME OTSUKA KAGAKU KK (JP) 2004-05-26 EP disclosed
US-20040073023-A1 3-cephem derivative crystal MORIYOSHI TAKASHI (JP) 2004-04-15 US disclosed
EP-0503604-A2 Allenyl beta-lactam compounds and process for preparing same OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-09-16 EP disclosed
EP-0503603-A2 Process for preparing 2-exo-methylenepenam derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-09-16 EP disclosed
US-5142040-A Oxidizing inpresence of oxygen with 3-halomethylcephem derivative OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5070194-A DEPROTECTION OF INTERMEDIATES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-12-03 US disclosed
EP-0445821-A1 Process for preparing a 3-formylcephem derivative OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-09-11 EP disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed
EP-0222022-A1 PROCESS FOR PRODUCING BETA-LACTAM DERIVATIVES Otsuka Kagaku Kabushiki Kaisha (JP) 1987-05-20 EP disclosed
US-4629542-A ELECTROLYZING 3-HALOMETHYLCEPHEM IN MIXTURE OF HYDROTHILIC ORGANIC SOLVENT AND WATER OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-12-16 US disclosed
US-3946003-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-03-23 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-20040073023-A1 3-cephem derivative crystal CRYAA, CRYAB, PCCA ALDH1A1 1731/4885MEN1 1158/4885MAPT 662/4885

“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.