SCHEMBL17507366

SCHEMBL17507366

Brc1cccc(Br)c1Oc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCB11 O95342 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LTA4H P09960 5/20 0.42
KMT2A Q03164 2/20 0.42
MASP2 O00187 1/20 0.42
MEN1 O00255 1/20 0.42
NUDT1 P36639 1/20 0.42
AOC3 Q16853 1/20 0.42
AMY1A P0DUB6 2/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL570314 0.83 AMY1A (0.44) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL7857823 0.82 ALDH1A1 (0.58) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL5801819 0.80 AR (0.51) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL569767 0.77 RAB9A (0.57) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL6359968 0.75 LTA4H (0.56) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL29795482 0.75 LTA4H (0.56) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL17491662 0.75 MAPK1 (0.49) NPC1RAB9AALDH1A1NPSR1KDM4E
Bicarbonate SCHEMBL5798340 0.72 AR (0.44) NPC1RAB9AALDH1A1NPSR1KDM4E
Bicarbonate SCHEMBL5798336 0.72 AR (0.44) NPC1RAB9AALDH1A1NPSR1KDM4E
SCHEMBL18400238 0.71 ALDH1A1 (0.54) NPC1RAB9AALDH1A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10944062-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-03-09 US disclosed
US-20180337351-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-11-22 US disclosed
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed
EP-2982676-A1 Benzimidazo[2,1-B]benzoxazoles for electronic applications Idemitsu Kosan Co., Ltd. (JP) 2016-02-10 EP 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 (2 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-10944062-B2 Organic electroluminescent materials and devices NDUFS2, ETFA, NDUFS3 NPC1 4047/4885RAB9A 3337/4885ALDH1A1 526/4885
US-20180337351-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NDUFS2, ETFA, NDUFS3 NPC1 4047/4885RAB9A 3337/4885ALDH1A1 526/4885

“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.