SCHEMBL16017332

SCHEMBL16017332

Cc1cc(F)c(C(=O)Nc2ccc(Cc3ccccc3C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
TRPA1 O75762 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ECE1 P42892 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR1 P21554 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
P2RY14 Q15391 1/20 0.40
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
PTGES O14684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL16019819 0.91 ITGB1 (0.44) LMNAITGB1ITGA4TRPA1HDAC1
SCHEMBL16017330 0.89 SMN1; SMN2 (0.45) LMNAHTTSMN1; SMN2ITGB1ITGA4
SCHEMBL16017266 0.88 ITGB1 (0.53) LMNAHTTSMN1; SMN2ITGB1ITGA4
SCHEMBL16017273 0.88 HTT (0.46) LMNAHTTSMN1; SMN2TRPA1ECE1
SCHEMBL16017294 0.88 SMN1; SMN2 (0.44) LMNAHTTSMN1; SMN2ITGB1ITGA4
SCHEMBL16017304 0.86 ITGB1 (0.53) LMNAHTTITGB1ITGA4TRPA1
SCHEMBL14887757 0.85 TYK2 (0.44) LMNAHTTSMN1; SMN2ITGB1ITGA4
SCHEMBL16017315 0.85 LMNA (0.42) LMNAHTTSMN1; SMN2ITGB1ITGA4
SCHEMBL16017327 0.81 KMT2A (0.60) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL16017324 0.80 HTT (0.47) LMNAHTTSMN1; SMN2TRPA1MEN1

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 1 patent. 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

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 1306/4885HTT 809/4885SMN1; SMN2 854/4885

“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.