SCHEMBL8249756

SCHEMBL8249756

CCCCOc1ccc(C)nc1Cn1c(C(N)=O)nc2ccc(CNc3cc(C)ccc3CCCO)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ PPARG P37231 4/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ AGTR2 P50052 4/20 0.31
▸ AGTR1 P30556 2/20 0.31
▸ DHFR P00374 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ ACSS2 Q9NR19 1/20 0.31

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
SCHEMBL8249720 0.94 PLK1 (0.36) LMNAPLK1PPARGAGTR2AGTR1
SCHEMBL12884207 0.90 PTGER1 (0.36) LMNAALDH1A1TDP1PLK1HTT
SCHEMBL8241502 0.88 HTT (0.41) LMNAPLK1HTTSMN1; SMN2KDM4E
SCHEMBL8252428 0.88 KDR (0.32) LMNAALDH1A1TDP1PLK1PPARG
SCHEMBL8242381 0.82 TLR7 (0.35) PPARGAGTR2AGTR1
SCHEMBL8251911 0.81 PLK1 (0.34) PLK1PPARGAGTR2AGTR1KDR
SCHEMBL8284704 0.81 LMNA (0.40) LMNAALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL8286263 0.80 CSF1R (0.44) LMNAALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL12884184 0.79 HTT (0.43) LMNAALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL17521663 0.78 CSF1R (0.45) LMNA

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 LMNA 1628/4885ALDH1A1 563/4885TDP1 2321/4885

“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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