SCHEMBL2356905

SCHEMBL2356905

O=C1N(Cc2nc(-c3cccnc3)no2)CCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.55
▸ S1PR3 Q99500 1/20 0.55
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.46
▸ PPARA Q07869 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL2358182 0.89 S1PR1 (0.48) S1PR1S1PR3NPC1RAB9AMAPK1
SCHEMBL2358449 0.85 ALDH1A1 (0.52) S1PR1S1PR3NPC1RAB9AKMT2A
SCHEMBL2359620 0.84 CPT1A (0.40) S1PR1S1PR3NPC1RAB9AMAPK1
SCHEMBL2358285 0.84 CYP2D6 (0.42) S1PR1S1PR3NPC1RAB9AMAPK1
SCHEMBL2308995 0.84 S1PR1 (0.47) S1PR1S1PR3KMT2AMAPTTP53
SCHEMBL2359006 0.83 ALDH1A1 (0.54) S1PR1NPC1RAB9AMAPK1KMT2A
SCHEMBL2357085 0.83 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9AKMT2A
SCHEMBL2359413 0.83 SMN1; SMN2 (0.56) NPC1RAB9AMAPK1KMT2ATSHR
SCHEMBL2359431 0.82 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AKMT2A
SCHEMBL2312221 0.82 CASP3 (0.40) S1PR1KMT2AMAPTL3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 — — US claimed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 — — EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 — — US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 — — WO claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 — — US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 — — EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 — — US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 — — 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D S1PR1 901/4885S1PR3 1524/4885NPC1 690/4885

“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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