SCHEMBL6665709

SCHEMBL6665709

NCC(O)c1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
NCF1 P14598 1/20 0.48
FERMT2 Q96AC1 1/20 0.46
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
IDO1 P14902 1/20 0.42
CYP2D6 P10635 9/20 0.41
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL11904339 0.86 LOXL2 (0.46) LOXL2NCF1FERMT2HTR1AADRA1D
SCHEMBL7356799 0.84 CYP2D6 (0.45) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL7379919 0.82 LOXL2 (0.44) LOXL2NCF1FERMT2HTR1AADRA1D
SCHEMBL1591841 0.81 NCF1 (0.52) LOXL2NCF1FERMT2HTR1AADRA1D
SCHEMBL4278256 0.81 NCF1 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL2329800 0.80 CYP2D6 (0.46) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL31556130 0.79 MAPT (0.46) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL31556129 0.79 MAPT (0.46) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL263407 0.79 LOXL2 (0.50) LOXL2NCF1FERMT2HTR1AADRA1D
SCHEMBL13868217 0.78 NCF1 (0.47) LOXL2NCF1HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019244939-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME, AND PRODUCTION METHOD FOR SAID LIQUID CRYSTAL DISPLAY ELEMENT, AND DIAMINE COMPOUND 日産化学株式会社 2019-12-26 WO disclosed
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
WO-2011132751-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-10-27 WO disclosed
US-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004022567-A1 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 WO disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 LOXL2 4285/4885NCF1 782/4885FERMT2 3303/4885

“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.