Sugi Predict

Sugi Predict / Compounds / SCHEMBL4277463

SCHEMBL4277463

SCHEMBL4277463

Nc1ccc2cccc([N+](=O)[O-])c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ TDP1 Q9NUW8 5/20 0.53
▸ TSHR P16473 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ HPRT1 P00492 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ TYMS P04818 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP6 P55212 1/20 0.41

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
SCHEMBL8686915 0.86 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL9735773 0.81 ALDH1A1 (0.69) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL20608200 0.80 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL187061 0.80 ALDH1A1 (0.63) ALDH1A1TDP1TSHRALOX15MEN1
SCHEMBL9734521 0.79 ALDH1A1 (0.67) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL7836832 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL5781732 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL2170070 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRALOX15MEN1
SCHEMBL12728634 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRMEN1GAA
SCHEMBL7836827 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118004997-A Preparation method of pore-diameter-adjustable porous carbon material 东南大学 2024-05-10 — — CN claimed
CN-118004997-A Preparation method of pore-diameter-adjustable porous carbon material 东南大学 2024-05-10 — — CN disclosed
US-9914729-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 — — US disclosed
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2017-06-29 — — US disclosed
US-9433614-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 — — US disclosed
US-20160022651-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 — — US disclosed
US-9000008-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 — — US disclosed
US-20130338186-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2013-12-19 — — US disclosed
US-8518967-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2013-08-27 — — US disclosed
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2009-10-15 — — US disclosed
US-7553851-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2009-06-30 — — US disclosed
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US disclosed
EP-1487835-B1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2006-09-20 — — EP disclosed
EP-1487835-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS Bayer Aktiengesellschaft (DE) 2004-12-22 — — EP disclosed
WO-2003078430-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2003-09-25 — — WO disclosed
US-5811492-A HAVING EXCELLENT HEAT, FIRE, CHEMICAL AND IMPACT RESISTANCE, MECHANICAL STRENGTH, AND MOLDABILITY; CONTAINING AMINO GROUPS, HYDROGENATED BLOCK COPOLYMER AND A POLYAMIDE RESIN GENERAL ELECTRIC COMPANY (US) 1998-09-22 — — 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 (5 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-20160022651-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA ALDH1A1 366/4885TDP1 4151/4885TSHR 2685/4885
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA ALDH1A1 366/4885TDP1 4151/4885TSHR 2685/4885
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA ALDH1A1 366/4885TDP1 4151/4885TSHR 2685/4885
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia CHRNA2, CHRNA6, CHRNA5 ALDH1A1 294/4885TDP1 484/4885TSHR 426/4885
US-20130338186-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA ALDH1A1 366/4885TDP1 4151/4885TSHR 2685/4885

“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.