SCHEMBL6232476

SCHEMBL6232476

O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 6/20 1.00
PTPN1 P18031 7/20 0.57
PTPRF P10586 2/20 0.57
CDC25B P30305 2/20 0.57
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
PTGS2 P35354 2/20 0.48
HKDC1 Q2TB90 2/20 0.48
NSD2 O96028 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
BACE1 P56817 1/20 0.45
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL9562523 0.89 PTPRC (0.80) PTPRCPTPN1PTPRFCDC25BESR1
SCHEMBL8992318 0.82 PTPRC (0.70) PTPRCPTPN1PTPRFCDC25BHKDC1
SCHEMBL9562400 0.82 PTPRC (0.68) PTPRCESR1ESR2PTGS2HPGD
SCHEMBL9561882 0.79 PTPRC (0.65) PTPRCESR1ESR2PTGS2HKDC1
SCHEMBL9572013 0.79 PTPRC (0.65) PTPRCESR1ESR2PTGS2HPGD
SCHEMBL7716516 0.78 PTPRC (0.64) PTPRCESR1ESR2PTGS2NSD2
SCHEMBL8992377 0.77 PTPRC (0.62) PTPRCPTPN1PTPRFCDC25BHKDC1
SCHEMBL29094077 0.77 CCR6 (0.67) PTPRCESR1ESR2PTGS2HKDC1
SCHEMBL9562325 0.76 PTPRC (0.60) PTPRCESR1ESR2PTGS2HKDC1
SCHEMBL9562297 0.75 PTPRC (0.59) PTPRCESR1ESR2PTGS2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560682-B1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones OREAL (FR) 1996-08-07 EP claimed
EP-0560682-A1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones L'OREAL (FR) 1993-09-15 EP claimed
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US disclosed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP disclosed
US-20030119897-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-06-26 US disclosed
EP-1259231-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001045681-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
EP-0560682-B1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones OREAL (FR) 1996-08-07 EP disclosed
EP-0560682-A1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones L'OREAL (FR) 1993-09-15 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 (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-20030119897-A1 Cd45 inhibitors PTPRC, CD2, HLA-C PTPRC 1/4885PTPN1 18/4885PTPRF 27/4885

“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.