SCHEMBL3336067

SCHEMBL3336067

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.[Mn]c1ncc[nH]1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ ADK P55263 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ ADRA2A P08913 1/20 0.30

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
Hydrochloric Acid SCHEMBL27999530 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL27999496 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL27547078 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL30497559 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL29009077 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL30657446 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL9238241 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL30657448 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL11327623 0.78 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL6049127 0.78 STAT3 (0.40) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334377-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-12-18 — — US disclosed
US-20120283236-A1 Porphyrin Catalysts and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-08 — — US disclosed
US-8232267-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-07-31 — — US disclosed
US-20110306584-A1 Porphyrin Catalysts and Methods of Use Thereof TRUSTEES OF PRINCETON (US) 2011-12-15 — — US disclosed
US-20100093688-A1 Porphyrin catalysts and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 — — US disclosed
WO-2008094222-A2 PORPHYRIN CATALYSTS AND METHODS OF USE THEREOF TRUSTEES OF PRINCETON (US) 2008-08-07 — — WO disclosed
WO-2008045358-A1 PORPHYRIN CATALYSTS AND METHODS OF USE THEREOF TRUSTEES OF PRINCETON (US) 2008-04-17 — — 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 (3 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-20120283236-A1 Porphyrin Catalysts and Methods of Use Thereof PPOX, POR, MPO STAT3 1733/4885STAT1 2312/4885MTOR 4567/4885
US-20110306584-A1 Porphyrin Catalysts and Methods of Use Thereof PPOX, POR, MPO STAT3 1387/4885STAT1 2078/4885MTOR 4639/4885
US-20100093688-A1 Porphyrin catalysts and methods of use thereof PPOX, POR, MPO STAT3 1733/4885STAT1 2312/4885MTOR 4567/4885

“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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