SCHEMBL25010683

SCHEMBL25010683

COC(=O)c1cc(N)ccc1-c1ccc(C(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
CYP46A1 Q9Y6A2 1/20 0.41
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
CFTR P13569 1/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 2/20 0.36
SLC6A2 P23975 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 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
SCHEMBL20298755 0.88 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21090510 0.82 CYP46A1 (0.48) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25010664 0.80 KCNH2 (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21050099 0.79 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30180241 0.79 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20326801 0.79 KDM4E (0.45) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20298908 0.78 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21050067 0.76 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30180356 0.76 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9705197 0.76 GAA (0.65) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239630-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-03-04 US disclosed
US-12023319-B2 Carboxylic acid aromatic amides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2024-07-02 US disclosed
US-11905270-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2024-02-20 US disclosed
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230086179-A1 CARBOXYLIC ACID AROMATIC AMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-03-23 US disclosed
US-20230043209-A1 CARBOXYLIC ACID AROMATIC AMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-02-09 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 (6 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-11905270-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BDKRB1, BDKRB2, HCAR1 KDM4E 3148/4885CYP1A2 721/4885CYP2D6 1187/4885
US-12023319-B2 Carboxylic acid aromatic amides DDC, PAH, NAT1 KDM4E 1120/4885CYP1A2 70/4885CYP2D6 247/4885
US-20230086179-A1 CARBOXYLIC ACID AROMATIC AMIDES DDC, PAH, NAT1 KDM4E 1120/4885CYP1A2 70/4885CYP2D6 247/4885
US-12239630-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BDKRB1, BDKRB2, HCAR1 KDM4E 2964/4885CYP1A2 644/4885CYP2D6 1057/4885
US-20230043209-A1 CARBOXYLIC ACID AROMATIC AMIDES DDC, PAH, NAT1 KDM4E 1120/4885CYP1A2 70/4885CYP2D6 247/4885
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HCAR1 KDM4E 2964/4885CYP1A2 644/4885CYP2D6 1057/4885

“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.