SCHEMBL16615862

SCHEMBL16615862

Nc1cc(-c2ccccc2)c(N)cc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HSD17B10 Q99714 4/20 0.62
BACE1 P56817 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
SMARCA2 P51531 2/20 0.48
SMARCA4 P51532 2/20 0.48
PBRM1 Q86U86 2/20 0.48
MAOA P21397 1/20 0.46
CYP3A4 P08684 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2942454 0.95 ALDH1A1 (0.56) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL17463848 0.92 ALDH1A1 (0.59) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL30594664 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL7649793 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL17463877 0.88 BACE1 (0.73) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL15400357 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL5268752 0.86 BACE1 (0.56) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL17463878 0.86 HSD17B10 (0.48) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL6572708 0.86 GAA (0.52) ALDH1A1HSD17B10BACE1PDE4APDE4B
SCHEMBL6572093 0.86 PDE4A (0.50) ALDH1A1HSD17B10BACE1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176172-A1 POLYIMIDE RESIN PRECURSOR 東京応化工業株式会社 2023-09-21 WO disclosed
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 EP disclosed
WO-2023058385-A1 BLOCK COPOLYMER 東京応化工業株式会社 2023-04-13 WO disclosed
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed
US-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices FLEXENABLE LIMITED (GB) 2020-11-17 US disclosed
EP-3052506-B1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES FLEXENABLE LTD (GB) 2020-06-03 EP disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-9741950-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2017-08-22 US disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND SK MATERIALS JNC CO., LTD. (KR) 2016-02-18 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
WO-2015043722-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-02 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 (4 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 ALDH1A1 2463/4885HSD17B10 4406/4885BACE1 2637/4885
US-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices AZI2, NME2, ALKBH2 ALDH1A1 450/4885HSD17B10 3017/4885BACE1 4373/4885
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES AZI2, NME2, ALKBH2 ALDH1A1 450/4885HSD17B10 3017/4885BACE1 4373/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 ALDH1A1 1610/4885HSD17B10 2173/4885BACE1 3781/4885

“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.