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Sugi Predict / Compounds / SCHEMBL6369495

SCHEMBL6369495

SCHEMBL6369495

Cc1cnc(CCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCHR1 Q99705 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6369592 0.91 TRPC5 (0.39) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL6369602 0.91 TRPC5 (0.41) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL540713 0.88 TRPC5 (0.39) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL29429566 0.88 TRPC5 (0.39) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL6369056 0.88 TRPC5 (0.39) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL14027738 0.88 TRPC5 (0.41) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL21385635 0.86 TRPC5 (0.41) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL16492254 0.86 TRPC5 (0.41) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL4864355 0.86 TRPC5 (0.44) TRPC5ALDH1A1MEN1KMT2ATP53
SCHEMBL8250779 0.85 TRPC5 (0.49) TRPC5ALDH1A1MEN1KMT2ATP53

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-1896449-B1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES JANSSEN R & D IRELAND (IE) 2013-11-06 — — EP disclosed
US-8178694-B2 Heterocyclylaminoalkyl substituted benzimidazoles TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-05-15 — — US disclosed
US-8178694-B2 Heterocyclylaminoalkyl substituted benzimidazoles TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-05-15 — — US disclosed
US-20100272683-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-10-28 — — US disclosed
US-20100272683-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-10-28 — — US disclosed
WO-2006136562-A1 HETEROCYCLYLAMINOALKYL 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-20100272683-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES HRH4, HTR4, HTR3C TRPC5 1157/4885ALDH1A1 482/4885MEN1 4489/4885

“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.