SCHEMBL6003452

SCHEMBL6003452

CCCCCCCCCc1c2nc(c(I)c3ccc([nH]3)c(I)c3nc(c(I)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TERT O14746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL6004323 0.99 CCNB2 (0.35) KCNH2CCNB2CDK1CCNB1GSK3A
SCHEMBL6003423 0.99 TERT (0.34) KCNH2CCNB2CDK1CCNB1GSK3A
SCHEMBL6003931 0.97 TERT (0.33) KCNH2CCNB2CDK1CCNB1GSK3A
SCHEMBL15468129 0.91 KCNH2 (0.42) KCNH2CCNB2CDK1CCNB1GSK3A
SCHEMBL8601755 0.91 KCNH2 (0.42) KCNH2CCNB2CDK1CCNB1GSK3A
SCHEMBL433614 0.91 KCNH2 (0.42) KCNH2CCNB2CDK1CCNB1GSK3A
SCHEMBL9438134 0.91 KCNH2 (0.42) KCNH2CCNB2CDK1CCNB1GSK3A
SCHEMBL1194293 0.89 KCNH2 (0.39) KCNH2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL3475623 0.85 MAPT (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14701508 0.83 KDM4E (0.36) KCNH2CCNB2CDK1CCNB1GSK3A

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-20060293249-A1 Porphyrin derivatives PHOTOBIOTICS LIMITED 2006-12-28 — — US disclosed
EP-1562951-A2 PORPHYRIN DERIVATIVES Photobiotics Ltd. (GB) 2005-08-17 — — EP disclosed
WO-2004046151-A2 PORPHYRIN DERIVATIVES PHOTOBIOTICS LIMITED (GB) 2004-06-03 — — 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-20060293249-A1 Porphyrin derivatives SLC2A3, SLC2A2, SCO2 KCNH2 110/4885CCNB2 1125/4885CDK1 2656/4885

“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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