SCHEMBL6981618

SCHEMBL6981618

O=c1[nH]cccc1-c1nc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 6/20 0.54
MAPT P10636 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
TP53 P04637 4/20 0.54
HSD17B10 Q99714 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 2/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
GBA1 P04062 1/20 0.50
PTGS2 P35354 2/20 0.48
TOP2A P11388 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL29504749 0.79 TOP2A (0.62) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL171055 0.79 TOP2A (0.62) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL12854009 0.77 TOP2A (0.60) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL9535172 0.77 NPC1 (0.50) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL29627559 0.76 ALDH1A1 (0.65) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL30682 0.76 ALDH1A1 (0.65) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL30096340 0.76 ALDH1A1 (0.65) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL29531707 0.75 NPC1 (0.69) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL824375 0.75 NPC1 (0.69) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL28868161 0.75 C1R (0.61) NPC1RAB9AKDM4EMAPTALDH1A1

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-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
EP-1301483-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-16 EP disclosed
WO-2002006233-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-24 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-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 NPC1 4469/4885RAB9A 3206/4885KDM4E 1806/4885

“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.