SCHEMBL19253327

SCHEMBL19253327

Fc1ccc(N(c2ccc(F)cc2)c2ccc(C=Cc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
NFE2L2 Q16236 7/20 0.48
CYP17A1 P05093 1/20 0.42
CYP21A2 P08686 1/20 0.42
CYP11B1 P15538 1/20 0.42
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4A O75164 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL17011126 1.00 APP (0.57) APPNFE2L2CYP17A1CYP21A2CYP11B1
SCHEMBL4268029 0.89 ALDH1A1 (0.48) APPCYP17A1CYP21A2CYP11B1ALDH1A1
SCHEMBL12991150 0.89 ALDH1A1 (0.48) APPCYP17A1CYP21A2CYP11B1ALDH1A1
SCHEMBL4268024 0.89 ALDH1A1 (0.48) APPCYP17A1CYP21A2CYP11B1ALDH1A1
SCHEMBL17248030 0.89 ALDH1A1 (0.48) APPCYP17A1CYP21A2CYP11B1ALDH1A1
SCHEMBL13636755 0.89 APP (0.68) APPNFE2L2PTGS1KDM4AKDM2A
SCHEMBL4585021 0.89 ALDH1A1 (0.48) APPCYP17A1CYP21A2CYP11B1ALDH1A1
SCHEMBL18381153 0.87 SMN1; SMN2 (0.43) APPALDH1A1KDM4ERAB9AMAPT
SCHEMBL12215526 0.87 SMN1; SMN2 (0.43) APPALDH1A1KDM4ERAB9AMAPT
SCHEMBL13992019 0.83 APP (0.61) APPNFE2L2CYP17A1CYP21A2CYP11B1

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-20170244034-A1 AROMATIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2017-08-24 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-20170244034-A1 AROMATIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME ARNT, AHR, CYP1A1 APP 794/4885NFE2L2 51/4885CYP17A1 339/4885

“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.