SCHEMBL16017309

SCHEMBL16017309

Cc1cccc(F)c1C(=O)Nc1ccc(-c2cn(C)nc2C(F)(F)F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
GAA P10253 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 2/20 0.38
IRAK4 Q9NWZ3 4/20 0.37
HTT P42858 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HPGD P15428 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16017300 0.94 LMNA (0.43) LMNANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL16017258 0.88 ATR (0.43) LMNAGAAHTTKDM4CHPGD
SCHEMBL16017236 0.86 LMNA (0.43) LMNANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL14887514 0.86 LMNA (0.43) LMNACYP3A4CYP2C19POLBIRAK4
SCHEMBL16017329 0.85 LMNA (0.45) LMNANPSR1GAAPOLBIRAK4
SCHEMBL16019824 0.85 LMNA (0.43) LMNANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL16017323 0.84 CYP1A2 (0.46) LMNANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL14887518 0.82 ATR (0.45) LMNANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL16017241 0.79 LMNA (0.46) LMNANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL16019826 0.79 CSNK1D (0.45) LMNAPOLBIRAK4STIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885NPSR1 1857/4885CYP1A2 4570/4885

“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.