Sugi Predict

Sugi Predict / Compounds / SCHEMBL43298

SCHEMBL43298

SCHEMBL43298

CCC(N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ SLC6A4 P31645 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PHLPP2 Q6ZVD8 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ IDO1 P14902 2/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL895913 1.00 ALDH1A1 (0.49) ALDH1A1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL894479 1.00 ALDH1A1 (0.49) ALDH1A1SLC6A4MAPTCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL4821086 0.84 ALDH1A1 (0.45) ALDH1A1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL18833848 0.82 LOXL2 (0.53) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL942066 0.82 LOXL2 (0.53) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL16805961 0.81 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL6690598 0.81 LOXL2 (0.52) ALDH1A1MAPTCYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL11740245 0.81 LOXL2 (0.52) ALDH1A1MAPTCYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL1820970 0.81 LOXL2 (0.52) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL5201413 0.81 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4TSHRLOXL2

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 256 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121431735-B Characterization method of molecular weight and molecular weight distribution of crystalline polyaryletherketone 吉林大学 2026-05-19 — — CN claimed
WO-2023214011-A1 ENZYMATIC METHOD FOR PREPARING (R)-3-AMINO-4-ARYL-BUTANOIC ACID DERIVATIVES ENZYMICALS AG (DE) 2023-11-09 — — WO claimed
EP-4273254-A1 ENZYMATIC METHOD FOR PREPARING (R)-3-AMINO-4-ARYL-BUTANOIC ACID DERIVATIVES Enzymicals AG (DE) 2023-11-08 — — EP claimed
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 — — US claimed
US-20160177354-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS SAFC, INC. 2016-06-23 — — US claimed
EP-2462115-B1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS INC (US) 2016-01-06 — — EP claimed
EP-2744908-A1 ENZYMATIC SYNTHESIS OF OPTICALLY ACTIVE CHIRAL AMINES Embio Limited (IN) 2014-06-25 — — EP claimed
US-8703448-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2014-04-22 — — US claimed
US-20140099682-A1 Enzymatic Synthesis of Optically Active Chiral Amines EMBIO LIMITED (IN) 2014-04-10 — — US claimed
WO-2013024453-A1 ENZYMATIC SYNTHESIS OF OPTICALLY ACTIVE CHIRAL AMINES EMBIO LIMITED (IN) 2013-02-21 — — WO claimed
CN-102574791-A Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS INC 2012-07-11 — — CN claimed
EP-2462115-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS Infinity Pharmaceuticals, Inc. (US) 2012-06-13 — — EP claimed
US-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-04-05 — — US claimed
WO-2011017551-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 — — WO claimed
CN-121431735-B Characterization method of molecular weight and molecular weight distribution of crystalline polyaryletherketone 吉林大学 2026-05-19 — — CN disclosed
US-20260078417-A1 TRANSAMINASE BIOCATALYSTS CODEXIS, INC. (US) 2026-03-19 — — US disclosed
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2026-01-29 — — US disclosed
US-5169780-A Conversion to ketone in aqueous solution with amino acceptor and omega-amino acid acceptor; solvent extraction CELGENE CORPORATION (US) 1992-12-08 — — US disclosed
EP-0404146-A2 Enantiomeric enrichment and stereoselective synthesis of chiral amines CELGENE CORPORATION (US) 1990-12-27 — — EP disclosed
US-4950606-A CONTACTING IN AN AQUEOUS MEDIUM IN THE PRESENCE OF AN AMINO ACCEPTOR WITH AN OMEGA-AMINO ACID TRANSAMINASE TO CONVERT ONE OF AMINES TO KETONE CELGENE CORPORATION (US) 1990-08-21 — — 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 (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-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE ALDH1A1 693/4885SLC6A4 1280/4885MAPT 2225/4885
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES GOT1, OAT, PEPD ALDH1A1 854/4885SLC6A4 260/4885MAPT 2107/4885
US-20260078417-A1 TRANSAMINASE BIOCATALYSTS XDH, AGXT, PEPD ALDH1A1 1300/4885SLC6A4 717/4885MAPT 2942/4885

“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.