SCHEMBL19665231

SCHEMBL19665231

O=c1cc(-c2ccccc2)[nH]c(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 3/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NPY5R Q15761 1/20 0.50
SCN2A Q99250 1/20 0.50
LMNA P02545 2/20 0.49
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
CTSV O60911 1/20 0.49
TUBB4A P04350 1/20 0.49
TP53 P04637 1/20 0.49
TUBB P07437 1/20 0.49
CTSL P07711 1/20 0.49
TUBA3C P0DPH7 1/20 0.49

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
SCHEMBL5381545 0.92 CDC7 (0.59) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL5384453 0.85 CYP19A1 (0.59) HPGDALDH1A1KDM4EGAAMAPT
SCHEMBL5377577 0.83 CDC7 (0.49) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL5390769 0.82 NPY5R (0.53) HPGDALDH1A1KDM4EGAAMAPT
SCHEMBL31074829 0.82 SCN2A (0.47) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL10843644 0.79 XDH (0.54) HPGDHSD17B10ALDH1A1KDM4ENPC1
SCHEMBL26387375 0.79 MAPT (0.50) HPGDALDH1A1KDM4EGAAMAPT
SCHEMBL4908259 0.79 GAA (0.50) HPGDALDH1A1KDM4EGAAMAPT
SCHEMBL22717729 0.79 KDM4E (0.51) HPGDHSD17B10ALDH1A1KDM4EGAA
SCHEMBL5381418 0.77 CYP19A1 (0.54) HPGDALDH1A1KDM4EMAPTNPC1

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-9966542-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-05-08 US disclosed
US-20170352815-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-12-07 US disclosed
WO-2017210075-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 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-20170352815-A1 ELECTROACTIVE MATERIALS HCN1, HCN3, NDUFC1 HPGD 553/4885HSD17B10 1909/4885ALDH1A1 305/4885

“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.