SCHEMBL8251904

SCHEMBL8251904

CCCCOc1ccc(C)nc1Cn1c(C(=O)O)nc2ccc(C=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AGTR1 P30556 4/20 0.35
▸ AGTR2 P50052 4/20 0.35
▸ PPARG P37231 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ PLA2G4A P47712 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL8252426 0.92 ALDH1A1 (0.35) NPC1CYP2C9RAB9ANPSR1PPARG
SCHEMBL8242374 0.86 AGTR2 (0.39) AGTR1AGTR2PPARGALOX5AP
SCHEMBL8247457 0.85 HTT (0.41) CYP2C9NPSR1KDM4EGAA
SCHEMBL16327866 0.80 ALOX5AP (0.38) AGTR1AGTR2PPARGALOX5AP
SCHEMBL12884201 0.79 CSF1R (0.40) KDM4E
SCHEMBL8249720 0.75 PLK1 (0.36) AGTR1AGTR2PPARG
SCHEMBL8249741 0.74 F2 (0.36) AGTR1AGTR2TDP1S1PR4
SCHEMBL12884198 0.73 CSF1R (0.42) NPC1RAB9AALOX5AP
SCHEMBL8283854 0.73 CSF1R (0.53) —
SCHEMBL12884186 0.73 CYP1A2 (0.51) CYP2C9NPSR1KDM4ETDP1

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-7884215-B2 2-substituted benzimidazoles JANSSEN SCIENCES IRELAND UC (IE) 2011-02-08 — — US disclosed
US-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-04-15 — — US disclosed
WO-2006136563-A1 2-SUBSTITUTED BENZIMIDAZOLES TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 — — 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 (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-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES HTR4, HRH4, HTR3C NPC1 2713/4885CYP2C9 896/4885RAB9A 2819/4885

“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.

Send feedback