SCHEMBL7247273

SCHEMBL7247273

C1=Cc2nc1c(-c1cccnc1)c1ccc(s1)c(-c1cccnc1)c1nc(c(-c3cccnc3)c3ccc(s3)c2-c2cccnc2)C=C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 12/20 0.47
▸ CYP3A4 P08684 7/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP2C9 P11712 6/20 0.42
▸ CYP2B6 P20813 6/20 0.42
▸ CYP2E1 P05181 5/20 0.42
▸ CYP2C19 P33261 5/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7240682 0.90 TERT (0.46) NPC1RAB9AKDM4ECYP19A1
SCHEMBL7246924 0.85 TOP1 (0.53) ALDH1A1KDM4ECYP19A1
SCHEMBL185112 0.76 TERT (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL6025492 0.76 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL29501072 0.76 TERT (0.54) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL30385992 0.75 TERT (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL29021355 0.75 TERT (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL21808804 0.75 TERT (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL2423305 0.75 TERT (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL11965538 0.72 CYP2A6 (0.78) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20030105130-A1 Thiaporphyrin, selenaporphyrin, and carotenoid porphyrin compounds as c-myc and telomerase inhibitors MYCBP, MYC, TERF2IP CYP2A6 3963/4885CYP3A4 2410/4885ALDH1A1 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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