SCHEMBL20100092

SCHEMBL20100092

CCSc1c(-c2nc3cc(C)cnc3o2)nc2ccccn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 6/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 3/20 0.33
PKM P14618 2/20 0.33
PKLR P30613 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP4 P27487 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL18131783 0.87 KDM4E (0.36) ALDH1A1KDM4EMAPTMAPK1GAA
SCHEMBL20100091 0.80 PKM (0.34) ALDH1A1KDM4EMAPTMAPK1GAA
SCHEMBL18795131 0.74 CYP1A2 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL15426363 0.73 NPC1 (0.45) ALDH1A1KDM4EGAAHTTLMNA
SCHEMBL20100096 0.69 DPP4 (0.35) ALDH1A1KDM4EMAPTMAPK1GAA
SCHEMBL16803683 0.69 SMN1; SMN2 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL18131777 0.68 HSD17B10 (0.35) KDM4EHSD17B10PKMNPC1
SCHEMBL18131807 0.68 HSD17B10 (0.33) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL20144323 0.68 POLB (0.32) KDM4ESMN1; SMN2NPSR1
SCHEMBL11645943 0.67 RAB9A (0.58) ALDH1A1KDM4EMAPTMAPK1GAA

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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS ALDH1A1 987/4885KDM4E 1838/4885MAPT 4152/4885

“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.