SCHEMBL8252428

SCHEMBL8252428

Cc1ccc(CCCO)c(NCc2ccc3nc(C(N)=O)n(Cc4nc(C)ccc4O)c3c2)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.32
▸ CD38 P28907 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ ACSS2 Q9NR19 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PLK1 P53350 1/20 0.30

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
SCHEMBL8251911 0.93 PLK1 (0.34) KDRPPARGHDAC1ACSS2GAA
SCHEMBL2534604 0.89 TLR8 (0.36) KDRLMNAACSS2GAAHPGD
SCHEMBL8251901 0.89 GFER (0.33) KDRLMNAACSS2GAAHPGD
SCHEMBL8249756 0.88 LMNA (0.33) KDRLMNAPPARGACSS2ALDH1A1
SCHEMBL8247459 0.87 MEN1 (0.44) KDRLMNAHDAC1GAAHPGD
SCHEMBL12884207 0.86 PTGER1 (0.36) KDRCD38LMNAHDAC1ALDH1A1
SCHEMBL21117043 0.82 KCNH2 (0.35) LMNAGAAHPGDGFERALDH1A1
SCHEMBL12930990 0.81 TNF (0.35) KDRLMNAGAAHPGDGFER
SCHEMBL8249720 0.81 PLK1 (0.36) LMNAPPARGPLK1
SCHEMBL12884195 0.80 PTGER1 (0.37) KDRLMNAPPARGHDAC1ALDH1A1

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 6 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-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
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 KDR 410/4885CD38 1935/4885LMNA 1628/4885

“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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