SCHEMBL12632557

SCHEMBL12632557

N=Nc1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ TYR P14679 1/20 0.41
▸ CYP2A13 Q16696 1/20 0.41
▸ ALDH1A3 P47895 2/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ TRIM24 O15164 1/20 0.37
▸ TRIM33 Q9UPN9 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ STS P08842 1/20 0.35

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
SCHEMBL5469857 0.78 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3074403 0.78 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4956384 0.76 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL31171 0.76 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL16355131 0.76 KDM4E (0.32) HSD17B10ALDH1A1KDM4E
SCHEMBL1109066 0.76 CYP2A6 (0.48) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL12534737 0.74 ALDH1A1 (0.58) ALDH1A1
Hydrochloric Acid SCHEMBL28807787 0.73 CYP2A6 (0.65) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
Phosphine SCHEMBL27461872 0.73 CYP2A6 (0.65) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
Water SCHEMBL29197442 0.73 CYP2A6 (0.65) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 — — EP disclosed
WO-2018119395-A1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2018-06-28 — — WO disclosed
EP-2677308-B1 Method for fabricating large scale FET arrays LIFE TECHNOLOGIES CORP (US) 2017-04-26 — — EP disclosed
CN-105254528-B Synthesis of diamine monomer with azo and polyimide prepared from diamine monomer 上海交通大学 2017-02-22 — — CN disclosed
EP-2674751-B1 Apparatus for measuring analytes using large scale FET arrays LIFE TECHNOLOGIES CORP (US) 2017-02-01 — — EP disclosed
EP-2639579-B1 Apparatus for measuring analytes using large scale FET arrays LIFE TECHNOLOGIES CORP (US) 2016-11-16 — — EP disclosed
EP-2639578-B1 Apparatus for measuring analytes using large scale fet arrays LIFE TECHNOLOGIES CORP (US) 2016-09-14 — — EP disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 — — US disclosed
EP-2677309-B9 Methods for sequencing a nucleic acid using large scale FET arrays, configured to measure a limited pH range LIFE TECHNOLOGIES CORP (US) 2014-11-19 — — EP disclosed
EP-2653861-B1 Method for sequencing a nucleic acid using large-scale FET arrays LIFE TECHNOLOGIES CORP (US) 2014-08-13 — — EP disclosed
EP-2677309-B1 Methods for sequencing a nucleic acid using large scale FET arrays, configured to measure a limited pH range LIFE TECHNOLOGIES CORP (US) 2014-07-23 — — EP disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 — — US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 — — US disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 — — 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 (3 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-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 CYP2A6 4425/4885HSD17B10 3408/4885ALDH5A1 3578/4885
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH CYP2A6 2178/4885HSD17B10 3715/4885ALDH5A1 2235/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH CYP2A6 2178/4885HSD17B10 3715/4885ALDH5A1 2235/4885

“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.

Send feedback