SCHEMBL937705

SCHEMBL937705

C=Cc1cc2ccccc2cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 8/20 0.39
CYP3A4 P08684 5/20 0.39
HSD17B10 Q99714 5/20 0.39
ALOX15 P16050 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HBB P68871 2/20 0.38
HIF1A Q16665 2/20 0.38
PDPK1 O15530 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.35
HPGD P15428 4/20 0.34
TSHR P16473 2/20 0.34
KEAP1 Q14145 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL2096786 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4HSD17B10ALOX15CASP1
SCHEMBL29434206 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4HSD17B10ALOX15CASP1
SCHEMBL20610260 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10ALOX15CASP1
SCHEMBL29954537 0.77 TDP1 (0.46) IDO1ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL1767506 0.77 TDP1 (0.46) IDO1ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL15566154 0.77 PTK2 (0.35) ALDH1A1
SCHEMBL15565870 0.75 PTK2 (0.41) ALDH1A1
SCHEMBL29391862 0.74 CYP3A4 (0.55) IDO1ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL139321 0.74 CYP3A4 (0.55) IDO1ALDH1A1CYP3A4HSD17B10ALOX15
SCHEMBL25216045 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP1TDP1HIF1A

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
WO-2023120315-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2023-06-29 WO disclosed
US-8921554-B2 Substituted 1,2-azaborine heterocycles STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2014-12-30 US disclosed
US-8921554-B2 Substituted 1,2-azaborine heterocycles STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2014-12-30 US disclosed
US-8921554-B2 Substituted 1,2-azaborine heterocycles STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2014-12-30 US disclosed
WO-2014025424-A2 BORON-NITROGEN-CONTAINING ACENE COMPOUNDS AND THEIR PREPARATION STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUC. ON BEHALF OF THE UNIV. OF OREGON (US) 2014-02-13 WO disclosed
EP-2459573-A1 SUBSTITUTED 1,2-AZABORINE HETEROCYCLES State of Oregon acting by & through the State Board of Higher Eduction on behalf of the University of Oregon (US) 2012-06-06 EP disclosed
WO-2011017129-A1 SUBSTITUTED 1,2-AZABORINE HETEROCYCLES STATE OF OREGON ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2011-02-10 WO disclosed
WO-2011017129-A1 SUBSTITUTED 1,2-AZABORINE HETEROCYCLES STATE OF OREGON ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2011-02-10 WO disclosed
US-20110021735-A1 SUBSTITUTED 1,2-AZABORINE HETEROCYCLES STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON 2011-01-27 US disclosed
US-20110021735-A1 SUBSTITUTED 1,2-AZABORINE HETEROCYCLES STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON 2011-01-27 US disclosed
US-20110021735-A1 SUBSTITUTED 1,2-AZABORINE HETEROCYCLES STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON 2011-01-27 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-20110021735-A1 SUBSTITUTED 1,2-AZABORINE HETEROCYCLES AZI2, CYP1B1, NMBR IDO1 705/4885ALDH1A1 1543/4885CYP3A4 178/4885

“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.