SCHEMBL2785993

SCHEMBL2785993

[c]1cccc2[nH]c(-c3ccc4[nH]cnc4c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.37
QPCTL Q9NXS2 3/20 0.37
NPC1 O15118 11/20 0.35
RAB9A P51151 11/20 0.35
PKM P14618 3/20 0.35
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 8/20 0.35
HPGD P15428 6/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 8/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TP53 P04637 3/20 0.33
HSD17B10 Q99714 2/20 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
SCHEMBL2569383 0.79 NPC1 (0.56) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL30822560 0.79 NPC1 (0.56) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL2686936 0.78 NPC1 (0.54) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL8671614 0.75 QPCT (0.38) QPCTQPCTLNPC1RAB9APKM
SCHEMBL5757411 0.75 MEN1 (0.40) QPCTQPCTLNPC1RAB9APKM
SCHEMBL1459333 0.75 NPC1 (0.56) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL14669372 0.74 NPC1 (0.49) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL700363 0.74 NPC1 (0.55) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL699592 0.73 GAA (0.51) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL700165 0.73 NPC1 (0.57) NPC1RAB9APKMKDM4EALDH1A1

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-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-07-29 US claimed

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-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents OXSR1, FOXO1, HAX1 QPCT 3409/4885QPCTL 2187/4885NPC1 4399/4885

“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.