SCHEMBL12232103

SCHEMBL12232103

c1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4nc5ccccc5s4)cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)n3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
NPC1 O15118 4/20 0.74
CYP19A1 P11511 1/20 0.55
KDM4E B2RXH2 4/20 0.54
ILK Q13418 2/20 0.52
CYP3A4 P08684 4/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL12232101 0.95 RAB9A (0.69) RAB9ANPC1CYP19A1KDM4EILK
SCHEMBL12232096 0.94 RAB9A (0.82) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL12232072 0.94 RAB9A (0.82) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL12232074 0.94 RAB9A (0.82) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL12232073 0.92 RAB9A (0.78) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL24331801 0.89 RAB9A (0.78) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL24332173 0.89 RAB9A (0.78) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL13893865 0.88 RAB9A (0.72) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL2482351 0.88 RAB9A (0.72) RAB9ANPC1KDM4EILKCYP3A4
SCHEMBL30863871 0.85 RAB9A (1.00) RAB9ANPC1CYP19A1KDM4EILK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772632-B2 Compound for organic photoelectric device, organic photoelectric device including the same, and display device including the same CHEIL INDUSTRIES, INC. (KR) 2014-07-08 US disclosed
US-8772632-B2 Compound for organic photoelectric device, organic photoelectric device including the same, and display device including the same CHEIL INDUSTRIES, INC. (KR) 2014-07-08 US disclosed
US-20130274471-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME IN KYU-YEON (KR) 2013-10-17 US disclosed
US-20130274471-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME IN KYU-YEON (KR) 2013-10-17 US disclosed
US-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-10-27 US disclosed
US-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-10-27 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-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME PPOX, AOX1, OR10J3 RAB9A 2851/4885NPC1 4362/4885CYP19A1 30/4885

“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.