SCHEMBL20746154

SCHEMBL20746154

O=C(OCc1ccccc1)c1cccc(Cl)c1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 3/20 0.58
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 6/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 3/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6057150 0.85 ALDH1A1 (0.69) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL24308561 0.84 ALDH1A1 (0.63) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL6832237 0.83 TDP1 (0.64) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL4743504 0.82 ALDH1A1 (0.59) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL23445886 0.82 ALDH1A1 (0.59) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL7946864 0.81 ALDH1A1 (0.73) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL19511714 0.81 ALDH1A1 (0.58) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL1317303 0.81 POLB (0.59) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL50441 0.80 ALDH1A1 (0.89) ALDH1A1TDP1POLBL3MBTL1CYP3A4
SCHEMBL29388715 0.80 ALDH1A1 (0.89) ALDH1A1TDP1POLBL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498903-B2 2-(1,1′-biphenyl)-1H-benzodimidazole derivatives and related compounds as apelin and APJ agonists for treating cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-15 US disclosed
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 US disclosed
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 US disclosed
WO-2019036024-A1 2-(1,1 '-BIPHENYL)-1 H-BENZO[D]IMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
WO-2019036024-A1 2-(1,1 '-BIPHENYL)-1 H-BENZO[D]IMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO 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 (2 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-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES APLNR, AP3B1, AP2B1 ALDH1A1 546/4885TDP1 2831/4885POLB 4619/4885
US-11498903-B2 2-(1,1′-biphenyl)-1H-benzodimidazole derivatives and related compounds as apelin and APJ agonists for treating cardiovascular diseases APLNR, AP3B1, AP2B1 ALDH1A1 558/4885TDP1 2844/4885POLB 4604/4885

“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.