SCHEMBL514682

SCHEMBL514682

Nc1c(C=O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PTPN1 P18031 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TYMS P04818 1/20 0.42
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
KEAP1 Q14145 1/20 0.41
NCEH1 Q6PIU2 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
SCHEMBL29950700 1.00 ERN1 (0.46) ERN1POLBMEN1KMT2APTPN1
SCHEMBL5749337 0.82 ALDH1A1 (0.41) ERN1POLBMEN1KMT2APTPN1
SCHEMBL4925716 0.79 ALDH1A1 (0.44) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL24184648 0.79 ALDH1A1 (0.44) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29521593 0.78 DNMT1 (0.48) ERN1POLBMEN1KMT2APTPN1
SCHEMBL7643518 0.78 DNMT1 (0.48) ERN1POLBMEN1KMT2APTPN1
SCHEMBL17704125 0.77 MEN1 (0.41) ERN1POLBMEN1KMT2APTPN1
SCHEMBL197337 0.77 ERN1 (0.62) ERN1POLBMEN1KMT2APTPN1
SCHEMBL31663413 0.77 ERN1 (0.62) ERN1POLBMEN1KMT2APTPN1
SCHEMBL320919 0.77 ERN1 (0.47) ERN1POLBMEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4401441-B2 2010-01-20 JP claimed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US claimed
JP-2001502360-A 2001-02-20 JP claimed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP claimed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO claimed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO claimed
EP-0341963-A2 Parathyroid hormone antagonists MERCK & CO. INC. (US) 1989-11-15 EP claimed
WO-2025033956-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 진웅산업 2025-02-13 WO disclosed
US-11195597-B2 Method and device for calculating acid dissociation constant, and program FUJITSU LIMITED (JP) 2021-12-07 US disclosed
EP-3327603-B1 METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM FUJITSU LTD (JP) 2021-08-11 EP disclosed
EP-3653574-B1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORP (JP) 2021-01-06 EP disclosed
EP-3653574-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed
CN-111116375-A Method for preparing primary amine by catalyzing aldehyde ketone compound through reductive amination 中国科学院广州能源研究所 2020-05-08 CN disclosed
EP-1037653-A1 COMPOSITIONS AND METHODS FOR REGULATING PHAGOCYTOSIS AND ICAM-1 EXPRESSION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2000-09-27 EP disclosed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP disclosed
WO-1999030729-A1 COMPOSITIONS AND METHODS FOR REGULATING PHAGOCYTOSIS AND ICAM-1 EXPRESSION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-06-24 WO disclosed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO disclosed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO disclosed
EP-0122023-A1 Microorganisms detection methods and the separation of agglutinated microorganisms, and a kit for use therein E-Y LABORATORIES, INC. (US) 1984-10-17 EP disclosed
US-4375000-A Process for the preparation of an aryl mono-, di-, and/or polyurethane BASF AKTIENGESELLSCHAFT (DE) 1983-02-22 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 (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-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator MC1R, F2RL1, F2R ERN1 4570/4885POLB 3287/4885MEN1 3125/4885

“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.