SCHEMBL1445331

SCHEMBL1445331

O=C(CC1CNC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ACP1 P24666 2/20 0.54
ALDH1A1 P00352 2/20 0.49
TACR1 P25103 1/20 0.49
MAPT P10636 1/20 0.47
GPR35 Q9HC97 1/20 0.45
P2RX1 P51575 2/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42

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
SCHEMBL1444611 0.89 LMNA (0.50) LMNAACP1ALDH1A1TACR1MAPT
SCHEMBL1444131 0.85 LMNA (0.52) LMNAACP1ALDH1A1TACR1MAPT
Hydrochloric Acid SCHEMBL1445368 0.84 LMNA (0.51) LMNAACP1ALDH1A1TACR1MAPT
SCHEMBL13568424 0.82 EPHX2 (0.59) LMNAACP1ALDH1A1TACR1MEN1
SCHEMBL6871047 0.80 ACP1 (0.49) LMNAACP1ALDH1A1TACR1MAPT
SCHEMBL3895469 0.79 LMNA (0.52) LMNAACP1ALDH1A1TACR1MAPT
SCHEMBL3889819 0.79 LMNA (0.52) LMNAACP1ALDH1A1TACR1MAPT
SCHEMBL3889815 0.79 LMNA (0.52) LMNAACP1ALDH1A1TACR1MAPT
SCHEMBL26087834 0.78 LMNA (0.55) LMNAMAPTMEN1KMT2A
SCHEMBL20094430 0.78 RHOC (0.50) LMNAACP1TACR1MAPTGPR35

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
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 WO disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS CACNA1G, CACNA1I, CACNA1H LMNA 847/4885ACP1 2139/4885ALDH1A1 2690/4885

“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.