SCHEMBL513374

SCHEMBL513374

CCc1cc(C)c(-c2ccc(Cl)cc2)c(CC)c1-c1c(O)c(C)nn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
DCTPP1 Q9H773 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
USP7 Q93009 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL510530 0.81 MAPK8 (0.36) KDM4EHTTCYP1A2CYP3A4GAA
SCHEMBL513333 0.80 KDM4E (0.31) KDM4EHPGDALDH1A1GAAMAPK8
SCHEMBL513484 0.79 HPGD (0.30) HPGDMAPK8
SCHEMBL513255 0.79 CASR (0.32) HPGDMAPT
SCHEMBL470078 0.79 NPC1 (0.36) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL18131563 0.78 CDK8 (0.34) HPGDALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL919414 0.78 KMT2A (0.37) HPGDALDH1A1HTTCYP1A2CYP3A4
SCHEMBL3789703 0.77 MAPK8 (0.38) NPC1RAB9AHPGDALDH1A1HTT
SCHEMBL16642353 0.76 CRHR1 (0.38) KDM4EHPGDALDH1A1GAALMNA
SCHEMBL513844 0.76 MAPK8 (0.30) MAPK8CDK8ACVR1

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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR NPC1 3970/4885RAB9A 1050/4885DCTPP1 373/4885

“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.