SCHEMBL7245487

SCHEMBL7245487

OC(c1cnc2ccccc2c1)c1ccc(C(O)c2cnc3ccccc3c2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
MGAM O43451 1/20 0.42
CHEK2 O96017 1/20 0.42
NQO1 P15559 1/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR3 P46089 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
ACP1 P24666 1/20 0.37
CYP2A6 P11509 1/20 0.37
HPGD P15428 1/20 0.37
KDR P35968 1/20 0.37
BIRC5 O15392 1/20 0.36

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
SCHEMBL372349 0.79 CYP1A2 (0.52) CYP1A2MGAMCHEK2NQO1PDGFRB
SCHEMBL22229492 0.78 EGFR (0.39) CYP1A2MGAMCHEK2NQO1PDGFRB
SCHEMBL27728303 0.77 PDGFRB (0.54) CYP1A2MGAMCHEK2NQO1PDGFRB
SCHEMBL22229494 0.77 CHEK2 (0.38) CYP1A2MGAMCHEK2NQO1PDGFRB
SCHEMBL14033741 0.76 CHEK2 (0.49) CYP1A2MGAMCHEK2NQO1RAB9A
SCHEMBL4065530 0.76 CYP1A2 (0.48) CYP1A2MGAMCHEK2NQO1PDGFRB
SCHEMBL6263374 0.76 CYP1A2 (0.53) CYP1A2MGAMNQO1PDGFRBPDGFRA
SCHEMBL27402285 0.76 CYP1A2 (0.48) CYP1A2MGAMCHEK2NQO1PDGFRB
SCHEMBL19688524 0.76 CYP1A2 (0.53) CYP1A2MGAMNQO1PDGFRBPDGFRA
SCHEMBL28014632 0.76 CYP1A2 (0.48) CYP1A2MGAMCHEK2NQO1PDGFRB

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 2 patents. 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
WO-2002078695-A1 THIAPORPHYRIN, SELENAPORPHYRIN, AND CAROTENOID PORPHYRIN COMPOUNDS AS C-MYC AND TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-10-10 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-20030105130-A1 Thiaporphyrin, selenaporphyrin, and carotenoid porphyrin compounds as c-myc and telomerase inhibitors MYCBP, MYC, TERF2IP CYP1A2 3981/4885MGAM 2055/4885CHEK2 307/4885

“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.