SCHEMBL29304587

SCHEMBL29304587

C/C=C(/Br)c1nc(C(=O)O)cn1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
BRD4 O60885 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALOX15 P16050 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 1/20 0.31
PTGER1 P34995 1/20 0.30

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
SCHEMBL21362773 0.81 PTGS1 (0.39) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL375420 0.72 RXFP1 (0.45) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL7489316 0.70 RXFP1 (0.42) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL1051401 0.68 PTGER1 (0.39) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL18776163 0.68 PTGS1 (0.38) RXFP1BRD4PTGS1PTGS2ALOX15
Hydrochloric Acid SCHEMBL31555571 0.68 RXFP1 (0.41) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL31352098 0.67 PTGS1 (0.37) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL18786076 0.67 HCAR2 (0.39) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL18776166 0.67 PTGS1 (0.37) RXFP1BRD4PTGS1PTGS2ALOX15
SCHEMBL29716077 0.67 KDM4E (0.38) BRD4TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 RXFP1 1944/4885BRD4 2173/4885PTGS1 1221/4885

“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.