SCHEMBL7259986

SCHEMBL7259986

S=C=Nc1ccc(C2=C3C=CC(=N3)C(c3cccnc3)=C3C=CC(=N3)C(c3cccnc3)=C3C=CC(=N3)C(c3cccnc3)=C3C=CC2=N3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 7/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP11B2 P19099 3/20 0.33
▸ MIF P14174 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ P2RY6 Q15077 1/20 0.31
▸ CYP19A1 P11511 3/20 0.31
▸ CYP17A1 P05093 2/20 0.31
▸ CYP11B1 P15538 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31

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
SCHEMBL7258058 0.85 P2RY6 (0.35) MIFP2RY6
SCHEMBL185113 0.82 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B2
SCHEMBL7261397 0.80 MIF (0.37) ALDH1A1CYP1A2MIFKDM4ELMNA
SCHEMBL7240131 0.78 AXL (0.42) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL7261422 0.76 P2RY6 (0.33) MIFP2RY6
SCHEMBL1343311 0.73 P2RY6 (0.30) P2RY6
SCHEMBL7262331 0.73 — —
SCHEMBL7262320 0.72 HSD17B10 (0.35) HSD17B10P2RY6
SCHEMBL7256784 0.71 CCR1 (0.32) CYP2A6
SCHEMBL7239834 0.70 NPC1 (0.52) ALDH1A1CYP1A2CYP11B2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203888-A1 Chromophores WELLCOME TRUST LIMITED, THE (GB) 2003-10-30 — — US disclosed
EP-1294726-A2 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES Catalyst Biomedica Ltd (GB) 2003-03-26 — — EP disclosed
WO-2002000662-A1 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES CATALYST BIOMEDICA LIMITED (GB) 2002-01-03 — — WO 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-20030203888-A1 Chromophores HCCS, PPOX, HMBS CYP2A6 1420/4885CYP3A4 1750/4885ALDH1A1 2976/4885

“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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