SCHEMBL11458447

SCHEMBL11458447

O=C(O)c1cc([N+](=O)[O-])c(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CASP6 P55212 1/20 0.42
USP47 Q96K76 2/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
DAO P14920 3/20 0.38
GPR35 Q9HC97 2/20 0.38
DTYMK P23919 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR3 P49019 2/20 0.36
USP7 Q93009 2/20 0.36

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
SCHEMBL11259653 0.84 USP47 (0.52) USP47GPR35MEN1ALDH1A1KMT2A
SCHEMBL3880847 0.83 USP10 (0.47) TSHRLMNAKDM4EMEN1ALDH1A1
SCHEMBL3230116 0.79 CA1 (0.43) CA1CA2CASP6USP47TSHR
SCHEMBL1456043 0.78 DAO (0.55) CA1CA2CASP6USP47TSHR
SCHEMBL1242736 0.78 DAO (0.55) CA1CA2CASP6USP47TSHR
SCHEMBL3878737 0.76 USP10 (0.56) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL6508901 0.74 DAO (0.38) CA1CA2CASP6DAOGPR35
SCHEMBL2680731 0.74 CYP3A4 (0.39) TSHRLMNAGPR35KDM4EMEN1
SCHEMBL19433701 0.74 PTPN2 (0.51) CA1CA2CASP6LMNAGPR35
SCHEMBL31158466 0.74 PTPN2 (0.51) CA1CA2CASP6LMNAGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
EP-4225288-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2023-08-16 EP disclosed
WO-2022076589-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-14 WO disclosed
US-4211696-A Disperse monoazo dyestuffs derived from 3,5-dinitro-2-amino thiophene as disazo component and an arylamine coupling component IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-08 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 (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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 CA1 3193/4885CA2 2566/4885CASP6 907/4885

“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.