SCHEMBL3095669

SCHEMBL3095669

O=C(NCc1ccco1)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
HPGD P15428 4/20 0.70
POLB P06746 8/20 0.68
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 3/20 0.62
HTT P42858 3/20 0.62
USP2 O75604 2/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 1/20 0.62
NFKB1 P19838 1/20 0.62
RECQL P46063 1/20 0.62
BLM P54132 1/20 0.62
NFKB2 Q00653 1/20 0.62
CACNA1B Q00975 1/20 0.62
APBA1 Q02410 1/20 0.62
RELA Q04206 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALOX15 P16050 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.62

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
SCHEMBL28572368 0.94 ALDH1A1 (0.62) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL5449585 0.84 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL5123738 0.84 ALDH1A1 (0.77) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL16266238 0.82 ALDH1A1 (1.00) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL15528340 0.82 ALDH1A1 (0.67) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL30646454 0.81 ALDH1A1 (0.59) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL24575916 0.81 EPHX2 (0.83) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL14694017 0.81 ALDH1A1 (0.66) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL18415483 0.81 POLB (0.77) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL1490952 0.81 HPGD (0.76) ALDH1A1HPGDPOLBTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US claimed
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2010-09-16 US claimed
WO-2008121850-A2 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2008-10-09 WO claimed
EP-0795596-B1 Fuel compositions SHELL INT RESEARCH (NL) 2000-10-11 EP claimed
EP-0795596-A1 Fuel compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-09-17 EP claimed
JP-9328691-A None JP disclosed
CN-112898173-B Method for preparing amide compound by photocatalytic organic amine 湖南中医药大学 2022-10-11 CN disclosed
CN-112898173-A Method for preparing amide compound by photocatalytic organic amine 湖南中医药大学 2021-06-04 CN disclosed
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US disclosed
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US disclosed
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US disclosed
US-9162984-B2 Small-molecule modulators of melanin expression UNIVERSITY OF ROCHESTER (US) 2015-10-20 US disclosed
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2010-09-16 US disclosed
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2010-09-16 US disclosed
WO-2008121850-A2 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2008-10-09 WO disclosed
EP-0795596-B1 Fuel compositions SHELL INT RESEARCH (NL) 2000-10-11 EP disclosed
CN-1225091-A Substituted 1,3-benzodioxoles AMERICAN HOME PROD (US) 1999-08-04 CN disclosed
US-5925152-A MIXTURE CONTAINING A FUEL ADDITIVE FURAN DERIVATIVE HAVING HETEROCYCLIC AND/OR ARYL CARBOCYCLIC GROUPS; ANTIDEPOSIT AGENTS, ANTIKNOCK COMPOUNDS SHELL OIL COMPANY (US) 1999-07-20 US disclosed
JP-H09328691-A FUEL COMPOSITION SHELL INTERNATL RES MAATSCHAPPIJ BV 1997-12-22 JP disclosed
EP-0795596-A1 Fuel compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-09-17 EP 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 (2 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-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION TYR, MITF, MC1R ALDH1A1 737/4885HPGD 339/4885POLB 4029/4885
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION TYR, MITF, MC1R ALDH1A1 737/4885HPGD 339/4885POLB 4029/4885

“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.