SCHEMBL8248706

SCHEMBL8248706

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NOD1 Q9Y239 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TNF P01375 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ HTR1B P28222 2/20 0.36

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
SCHEMBL12884187 0.87 CYP1A2 (0.53) HTTMEN1KMT2ANOD1CYP1A2
SCHEMBL8242374 0.84 AGTR2 (0.39) AGTR2AGTR1
SCHEMBL8252433 0.84 S1PR4 (0.36) KDM4EALDH1A1AGTR2AGTR1
SCHEMBL8242381 0.84 TLR7 (0.35) AGTR2AGTR1
SCHEMBL8241502 0.83 HTT (0.41) HTTMEN1KMT2ANOD1CYP1A2
SCHEMBL8247680 0.83 TLR8 (0.42) HTTPOLBALDH1A1
SCHEMBL8251906 0.83 AGTR2 (0.39) AGTR2AGTR1
SCHEMBL8249741 0.80 F2 (0.36) ALDH1A1AGTR2AGTR1
SCHEMBL12884177 0.75 CYP1A2 (0.47) HTTMEN1KMT2ANOD1CYP1A2
SCHEMBL11984813 0.75 S1PR4 (0.39) MAPK1AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896450-B1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN R & D IRELAND (IE) 2012-08-15 — — EP disclosed
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 HTT 1139/4885MEN1 4381/4885KMT2A 2052/4885

“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.

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