SCHEMBL4769593

SCHEMBL4769593

CCOC(=O)c1cnc(OCC)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 4/20 0.49
HSP90AA1 P07900 1/20 0.49
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK1D P48730 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4769283 0.89 RAB9A (0.50) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL4772704 0.88 NPC1 (0.52) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL4771466 0.86 ALDH1A1 (0.48) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL4762379 0.86 RAB9A (0.48) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL3278900 0.85 CYP1A2 (0.48) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL11790304 0.85 HSP90AA1 (0.48) MAPTNPC1RAB9AKDM4EHSP90AA1
SCHEMBL5768324 0.85 HSP90AA1 (0.48) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL4767466 0.85 RAB9A (0.49) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL4766068 0.85 RAB9A (0.47) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL20556217 0.85 RAB9A (0.47) MAPTNPC1RAB9ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM MAPT 4388/4885NPC1 2528/4885RAB9A 838/4885

“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.