SCHEMBL4630942

SCHEMBL4630942

c1ccc(Nc2ccc(-c3ccncc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ ALOX12 P18054 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ PTGS2 P35354 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ALK Q9UM73 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL21012420 0.95 NOTUM (0.68) NOTUMALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL21012394 0.91 MAPT (0.61) NOTUMALDH1A1TDP1ALKSMN1; SMN2
SCHEMBL28226646 0.89 ALK (0.54) NOTUMALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL1720986 0.85 HSD17B10 (0.67) NOTUMALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL17965666 0.85 ALDH1A1 (0.81) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL67901 0.85 ALDH1A1 (0.81) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL2852700 0.85 ALDH1A1 (0.81) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL17250467 0.84 NOTUM (0.58) NOTUMALDH1A1HSD17B10TSHRTDP1
SCHEMBL10079561 0.83 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL431535 0.83 ALDH1A1 (0.77) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882143-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 — — US disclosed
US-9882143-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 — — US disclosed
US-20160028015-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-28 — — US disclosed
US-20160028015-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-28 — — US disclosed
US-9181474-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-10 — — US disclosed
US-9181474-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-10 — — US disclosed
EP-2626399-B1 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO LTD (KR) 2014-12-03 — — EP disclosed
US-20130200338-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-08-08 — — US disclosed
US-20130200338-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-08-08 — — US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 — — EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 — — 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 (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-20160028015-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME MAOB, DRD2, TYR NOTUM 1424/4885ALDH1A1 125/4885HSD17B10 3081/4885
US-20130200338-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME MAOB, DRD2, TYR NOTUM 1424/4885ALDH1A1 125/4885HSD17B10 3081/4885

“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.

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