SCHEMBL7252275

SCHEMBL7252275

O=C(Nc1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ TYK2 P29597 1/20 0.55
▸ CYCS P99999 3/20 0.54
▸ POLB P06746 2/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTT P42858 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ PTPN1 P18031 2/20 0.50
▸ PRMT5 O14744 1/20 0.50
▸ BCAT2 O15382 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KCNK3 O14649 1/20 0.47
▸ ITK Q08881 1/20 0.47

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
SCHEMBL7241022 0.83 TOP1 (0.58) TOP1CYCSPOLBSMN1; SMN2HTT
SCHEMBL7247625 0.82 MMP9 (0.48) TOP1CYCSMMP2MMP9MMP8
SCHEMBL16080128 0.81 TOP1 (0.52) TOP1CYCSPOLBSTAT3SMN1; SMN2
Hydrochloric Acid SCHEMBL7245380 0.80 TOP1 (0.44) TOP1JAK2CYCSMMP2MMP9
SCHEMBL31392584 0.80 TOP1 (0.86) TOP1CYCS
Porphirin SCHEMBL8185370 0.80 TOP1 (0.86) TOP1CYCS
Porphirin SCHEMBL29373094 0.80 TOP1 (0.86) TOP1CYCS
SCHEMBL6448103 0.79 POLB (0.81) JAK2TYK2POLBSTAT3SMN1; SMN2
SCHEMBL4407506 0.79 TOP1 (0.69) TOP1CYCSSTAT3
SCHEMBL29724706 0.79 TOP1 (0.69) TOP1CYCSSTAT3

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 5 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
EP-0345171-B1 Metalloporphyrine derivatives, their therapeutical use and their use in the preparation of hybrid molecules CENTRE NAT RECH SCIENT (FR) 1995-12-13 — — EP disclosed
US-5236914-A Antitumor agents, viricides CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1993-08-17 — — US disclosed
WO-1989012049-A1 DERIVATIVES OF METALLOPORPHYRINES, THEIR PREPARATION, APPLICATION FOR THERAPEUTICAL PURPOSES AND USE IN PREPARING HYBRID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 1989-12-14 — — 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 TOP1 132/4885JAK2 3111/4885TYK2 4126/4885

“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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