SCHEMBL6489317

SCHEMBL6489317

CCOc1nc2ccc(OCc3ccccc3C(=O)OC)cc2n1Cc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
PPARG P37231 4/20 0.42
ALOX5AP P20292 2/20 0.40
LMNA P02545 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6488346 0.93 PPARG (0.45) PPARGALOX5AP
SCHEMBL6500991 0.90 ALOX5AP (0.42) PPARGALOX5APMAPTSMN1; SMN2
SCHEMBL6488564 0.88 AGTR1 (0.44) MEN1CYP3A4CYP2C9CYP2C19HTT
SCHEMBL6491428 0.82 BCL2 (0.46) PPARGALOX5APMAPT
SCHEMBL6488968 0.80 PPARG (0.50) PPARGALOX5APLMNAMAPTSMN1; SMN2
SCHEMBL6500822 0.80 AGTR1 (0.47)
SCHEMBL6498787 0.79 BCL2 (0.40) PPARGALOX5APMAPT
SCHEMBL6488562 0.79 AGTR1 (0.41)
SCHEMBL6488086 0.78 ALOX5AP (0.42) PPARGALOX5APLMNAMAPTSMN1; SMN2
SCHEMBL6488074 0.77 AGTR1 (0.43) ALOX5APMAPT

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 MTNR1A 2935/4885MTNR1B 1875/4885PPARG 233/4885

“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.