SCHEMBL7239834

SCHEMBL7239834

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ATR Q13535 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 2/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ CYP1A2 P05177 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
SCHEMBL10568742 0.87 SMN1; SMN2 (0.56) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL7241026 0.86 TSHR (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11192637 0.80 NPC1 (0.65) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL29611891 0.80 NPC1 (0.65) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL185113 0.80 CYP2A6 (0.52) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL8865142 0.77 NPC1 (0.50) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL7240131 0.76 AXL (0.42) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL7241348 0.76 KMT2A (0.45) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7265162 0.76 SMN1; SMN2 (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL1974249 0.76 TDP1 (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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 NPC1 799/4885RAB9A 3980/4885ALDH1A1 2976/4885
US-20030105130-A1 Thiaporphyrin, selenaporphyrin, and carotenoid porphyrin compounds as c-myc and telomerase inhibitors MYCBP, MYC, TERF2IP NPC1 2044/4885RAB9A 4207/4885ALDH1A1 4140/4885

“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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