SCHEMBL14870451

SCHEMBL14870451

CC(=O)N1CCc2cc(C(=O)Cc3cnn(Cc4ccc(Cl)c(Cl)c4)c3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 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
SCHEMBL3597540 0.85 SMN1; SMN2 (0.60) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
SCHEMBL3602541 0.75 SMN1; SMN2 (0.59) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
SCHEMBL3596504 0.74 SMN1; SMN2 (0.57) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
SCHEMBL3607137 0.74 SMN1; SMN2 (0.54) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
SCHEMBL3613868 0.73 SMN1; SMN2 (0.54) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
SCHEMBL3607353 0.72 SMN1; SMN2 (0.59) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
Hydrochloric Acid SCHEMBL3596895 0.72 SMN1; SMN2 (0.59) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
SCHEMBL3606619 0.70 TMPRSS2 (0.49) MAPTHTTNPSR1SMN1; SMN2PLA2G1B
SCHEMBL14155550 0.67 NAMPT (0.54) MAPTHTTSMN1; SMN2PLA2G1BCYP1A2
SCHEMBL3613929 0.67 SMN1; SMN2 (0.59) MAPTHTTNPSR1SMN1; SMN2PLA2G1B

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-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 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-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS SCD, SELPLG, SCD5 MAPT 4657/4885HTT 3579/4885NPSR1 1215/4885

“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.