SCHEMBL3317872

SCHEMBL3317872

Nc1cc2cc3ccccc3cc2c(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP3A4 P08684 4/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
HIF1A Q16665 2/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HBB P68871 1/20 0.43
IDO1 P14902 1/20 0.41
GAA P10253 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
RCE1 Q9Y256 2/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39

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
SCHEMBL19253342 0.93 HPRT1 (0.41) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL22776396 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL31281983 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL29463710 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL677653 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL27763980 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL10326065 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL27876860 0.78 ESR1 (0.43) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL2321929 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4CASP1CASP7
SCHEMBL4916323 0.77 HPRT1 (0.57) ALDH1A1HSD17B10CYP3A4CASP1CASP7

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
CN-101803060-B High performance broadband OLED device GLOBAL OLED TECHNOLOGY LLC 2012-05-23 CN claimed
CN-101803060-A High-performance broadband OLED device GLOBAL OLED TECHNOLOGY LLC 2010-08-11 CN claimed
CN-101803060-B High performance broadband OLED device GLOBAL OLED TECHNOLOGY LLC 2012-05-23 CN disclosed
CN-101803060-A High-performance broadband OLED device GLOBAL OLED TECHNOLOGY LLC 2010-08-11 CN disclosed
US-7728040-B1 Polyamine conjugates as selective NMDA inhibitors and anti-cancer drugs UNIVERSITY OF CENTRAL FLORIDS RESEARCH FOUNDATION, INC. (US) 2010-06-01 US disclosed
US-20070088081-A1 Polyamine conjugates as selective NMDA inhibitors and anti-cancer drugs RESEARCH FOUNDATION OF THE UNIVERSITY OF CENTRAL FLORIDA INCORPORATED 2007-04-19 US disclosed
US-7001925-B1 Compounds and method for enhancing the efficacy of anti-cancer drugs UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-02-21 US disclosed
US-6558783-B1 Thermosetting polyphenylene ether resin composition, cured resin composition obtained therefrom, and laminated structure ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-05-06 US disclosed
EP-1063262-A1 THERMOSETTING POLYPHENYLENE ETHER RESIN COMPOSITION, CURED RESIN COMPOSITION OBTAINED THEREFROM, AND LAMINATED STRUCTURE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-12-27 EP disclosed
US-5274135-A Aminating in the presence of a metal-containing catalyst THE DOW CHEMICAL COMPANY (US) 1993-12-28 US disclosed
US-5210339-A Nitrating agent, anhydride, clay, solvent THE DOW CHEMICAL COMPANY (US) 1993-05-11 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-20070088081-A1 Polyamine conjugates as selective NMDA inhibitors and anti-cancer drugs GRIN1, SLC7A1, GRIN3A ALDH1A1 3116/4885HSD17B10 3852/4885CYP3A4 4281/4885

“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.