SCHEMBL3060488

SCHEMBL3060488

CCOc1ccc(C(=O)NC)c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.44
MAPK8 P45983 2/20 0.42
MAPT P10636 2/20 0.40
CASP1 P29466 1/20 0.37
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
GABRA1 P14867 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK9 P45984 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 3/20 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
SCHEMBL5114620 0.83 TDP1 (0.43) MAPK8MAPTNPC1TSHRLMNA
SCHEMBL4299384 0.83 MAPT (0.50) MAPK8MAPTNPC1TSHRGABRA1
SCHEMBL26150427 0.81 NNMT (0.45) MAPK8MAPTTSHRLMNAKDM4E
SCHEMBL3802758 0.80 ALDH1A1 (0.50) MAPTCASP1NPC1TSHRLMNA
SCHEMBL9363634 0.79 MAPT (0.40) MAPK8MAPTCNR1KDM4EHPGD
SCHEMBL3058844 0.75 SLC6A12 (0.44) PLK1MAPTCASP1RAB9AKDM4E
SCHEMBL31604390 0.74 EGFR (0.38) PLK1CASP1TSHRKDM4ESMN1; SMN2
SCHEMBL14469060 0.74 EGFR (0.57) PLK1CASP1LMNAKDM4ESMN1; SMN2
SCHEMBL18921642 0.73 EGFR (0.40) PLK1CASP1NPC1RAB9ASMN1; SMN2
SCHEMBL31604399 0.73 CASP1 (0.37) PLK1MAPTCASP1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 PLK1 2855/4885MAPK8 3347/4885MAPT 2785/4885

“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.