SCHEMBL24259322

SCHEMBL24259322

O=CCCCCc1ncc(Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL5883346 0.86 ALDH1A1 (0.37) ALDH1A1KDM4E
SCHEMBL5883528 0.78 NAAA (0.43) HIF1ATSHR
SCHEMBL5884001 0.74 APLNR (0.47) HIF1ATSHR
SCHEMBL2358419 0.74 RAB9A (0.39) ALDH1A1KDM4E
SCHEMBL3407215 0.73 ALDH1A1 (0.39) ALDH1A1KDM4ETSHR
SCHEMBL17967576 0.72 RAB9A (0.41) ALDH1A1HIF1AKDM4E
SCHEMBL8453984 0.72 RAB9A (0.41) ALDH1A1HIF1AKDM4E
SCHEMBL24259548 0.72 TLR7 (0.35) KDM4E
SCHEMBL15894460 0.72 RAB9A (0.41) ALDH1A1HIF1AKDM4E
SCHEMBL5883075 0.72 TSHR (0.37) ALDH1A1HIF1AKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 ALDH1A1 2862/4885HIF1A 4498/4885KDM4E 3793/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885HIF1A 4498/4885KDM4E 3793/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 ALDH1A1 2862/4885HIF1A 4498/4885KDM4E 3793/4885

“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.