SCHEMBL17875619

SCHEMBL17875619

O=C(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
GALR3 O60755 1/20 0.47
S100A4 P26447 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
PKM P14618 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 1/20 0.43
ERN1 O75460 1/20 0.42
GPR35 Q9HC97 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 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
SCHEMBL7648939 0.89 CES2 (0.71) CES2MAPK1AKR1C2AKR1C1MAPT
SCHEMBL132963 0.87 GPR35 (0.50) CES2S100A4TRPV1PKMMAPK1
SCHEMBL8232986 0.85 DGAT1 (0.53) CES2S100A4TRPV1PKMMAPK1
SCHEMBL27745774 0.85 GPR35 (0.49) CES2S100A4TRPV1PKMMAPK1
SCHEMBL30025405 0.85 KDM4E (0.45) CES2S100A4TRPV1PKMMAPK1
SCHEMBL3498660 0.85 KDM4E (0.45) CES2S100A4TRPV1PKMMAPK1
SCHEMBL3911021 0.85 S100A4 (0.44) CES2S100A4TRPV1PKMMAPK1
SCHEMBL27554179 0.81 KDM4E (0.42) S100A4TRPV1PKMMAPK1RAB9A
SCHEMBL135219 0.81 ALDH1A1 (0.53) S100A4TRPV1PKMMAPK1RAB9A
SCHEMBL1318248 0.81 ABCB1 (0.47) PKMKDM4EABCB1ABCC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, TYR, ALDH1A2 CES2 1248/4885GALR3 783/4885S100A4 4274/4885

“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.