SCHEMBL6487753

SCHEMBL6487753

COC(=O)c1ccccc1COc1cc(C)c2nc(C(F)(F)F)n(Cc3ccc(-c4ccccc4)cc3Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 2/20 0.40
BCL2 P10415 6/20 0.38
MCL1 Q07820 6/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
RXRA P19793 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ALOX5AP P20292 1/20 0.36
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
NR4A2 P43354 1/20 0.34
PTGER4 P35408 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
AGTR1 P30556 1/20 0.34

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
SCHEMBL6492366 0.93 PIK3C2B (0.45) PIK3C2BBCL2MCL1HSD17B13MRGPRX4
SCHEMBL6498787 0.90 BCL2 (0.40) PIK3C2BBCL2MCL1ALOX5APNR4A2
SCHEMBL6488562 0.88 AGTR1 (0.41) BCL2MCL1AGTR1AGTR2
SCHEMBL6488564 0.87 AGTR1 (0.44) BCL2MCL1SLC16A3SLC16A1AGTR1
SCHEMBL6488074 0.86 AGTR1 (0.43) BCL2MCL1ALOX5APMAPTAGTR1
SCHEMBL6498230 0.83 ALOX5AP (0.38) BCL2MCL1MRGPRX4ALOX5APSLC16A3
SCHEMBL6501134 0.82 BCL2 (0.47) PIK3C2BBCL2MCL1MRGPRX4TP53
SCHEMBL6488163 0.81 PIK3C2B (0.37) PIK3C2BBCL2MCL1ALOX5APNR4A2
SCHEMBL6492529 0.81 PIK3C2B (0.38) PIK3C2BBCL2MCL1ALOX5APSLC16A3
SCHEMBL6496471 0.81 DCTPP1 (0.37) PIK3C2BBCL2MCL1ALOX5APTP53

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD PIK3C2B 2433/4885BCL2 774/4885MCL1 806/4885

“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.