SCHEMBL7239829

SCHEMBL7239829

CC(=O)Nc1ccc(-c2c3nc(c(-c4cccnc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5cccnc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ATR Q13535 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TOP1 P11387 3/20 0.48
▸ CYCS P99999 3/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL8994447 0.88 TOP1 (0.60) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL7241022 0.87 TOP1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2TOP1
SCHEMBL14077524 0.84 ABCG2 (0.54) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL9910535 0.83 ABCG2 (0.55) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL185112 0.81 TERT (0.54) ALDH1A1KDM4ETOP1CYCSCYP1A2
SCHEMBL29501072 0.81 TERT (0.54) ALDH1A1KDM4ETOP1CYCSCYP1A2
SCHEMBL29021355 0.80 TERT (0.52) ALDH1A1KDM4ETOP1CYCSCYP1A2
SCHEMBL21808804 0.80 TERT (0.52) ALDH1A1KDM4ETOP1CYCSCYP1A2
SCHEMBL30385992 0.80 TERT (0.52) ALDH1A1KDM4ETOP1CYCSCYP1A2
SCHEMBL2423305 0.80 TERT (0.52) ALDH1A1KDM4ETOP1CYCSCYP1A2

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
US-20030203888-A1 Chromophores WELLCOME TRUST LIMITED, THE (GB) 2003-10-30 — — US disclosed
US-20030105130-A1 Thiaporphyrin, selenaporphyrin, and carotenoid porphyrin compounds as c-myc and telomerase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-06-05 — — 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 (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-20030203888-A1 Chromophores HCCS, PPOX, HMBS ALDH1A1 2976/4885HPGD 1616/4885HSD17B10 625/4885
US-20030105130-A1 Thiaporphyrin, selenaporphyrin, and carotenoid porphyrin compounds as c-myc and telomerase inhibitors MYCBP, MYC, TERF2IP ALDH1A1 4140/4885HPGD 2936/4885HSD17B10 3628/4885

“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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