SCHEMBL4948738

SCHEMBL4948738

[NH]C(=O)COc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ALPL P05186 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL10968825 0.81 LTA4H (0.45) MAPT
SCHEMBL653251 0.81 ALOX15 (0.65) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4947908 0.79 LMNA (0.56) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL1432953 0.79 POLB (0.54) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL12378826 0.79 ALDH1A1 (0.58) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL2531951 0.79 POLB (0.54) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL13382671 0.79 POLB (0.54) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4946959 0.79 ATF4 (0.53) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4948856 0.79 WDR5 (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11221136 0.79 NPC1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1209160-B1 PROCESS FOR THE PREPARATION OF CEPHEM COMPOUNDS OTSUKA KAGAKU KK (JP) 2004-03-10 EP disclosed
EP-0507124-A2 Process for preparing cephem derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-10-07 EP 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
EP-0503597-A2 Penam derivatives and processes for producing the same 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
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
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 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 POLB 2312/4885ALDH1A1 1731/4885MEN1 1158/4885

“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.