SCHEMBL6575939

SCHEMBL6575939

O=C1C(=O)c2ccnnc2-c2ccccc21

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 3/20 0.59
▸ CTSL P07711 1/20 0.59
▸ CTSS P25774 1/20 0.59
▸ PTPN13 Q12923 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP2 O95551 4/20 0.48
▸ PLCG1 P19174 2/20 0.48
▸ CES1 P23141 2/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ RIN1 Q13671 1/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ APAF1 O14727 3/20 0.48
▸ MAOA P21397 2/20 0.48

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
SCHEMBL5041817 0.96 CTSL (0.53) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL6607479 0.88 MAOB (0.50) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL3786936 0.83 PTPRC (0.52) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL30777768 0.74 PTPRC (1.00) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL4048788 0.74 PTPRC (1.00) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL18347632 0.70 ALDH1A1 (0.87) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL69772 0.70 PTPRC (0.91) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL30799541 0.70 PTPRC (0.91) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL4066187 0.68 TDP1 (0.42) ALDH1A1TDP2PLCG1CES1NSD2
9,10-Phenanthrenequinone SCHEMBL43050 0.68 MEN1 (1.00) PTPRCCTSLCTSSPTPN13ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446390-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-08-18 — — EP claimed
US-6686466-B2 HEATING AN ISOCYANATE DERIVATIVE WITH A SYMMETRIC QUINONE IN PRESENCE OF TRIPHENYLARSEN OXIDE CATALYST TO FORM 2,2-DIPHENYL-PHENANTHRO (9,10)-2H-(1,4)-OXAZINE DERIVATIVES JOHNSON & JOHNSON VISION CARE, INC. 2004-02-03 — — US claimed
US-20030125552-A1 Photochromic oxazine compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2003-07-03 — — US claimed
WO-2003042195-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-05-22 — — WO claimed

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-20030125552-A1 Photochromic oxazine compounds and methods for their manufacture PPOX, DHPS, ALDH1A2 PTPRC 971/4885CTSL 4884/4885CTSS 4851/4885

“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.

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