SCHEMBL21043930

SCHEMBL21043930

O=[N+]([O-])c1ccc(-c2c3nc(c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4ccc2[nH]4)C=C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.55
▸ TOP1 P11387 4/20 0.54
▸ CYCS P99999 3/20 0.52
▸ TERT O14746 4/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ MMP2 P08253 4/20 0.44
▸ MMP9 P14780 4/20 0.44
▸ MMP8 P22894 4/20 0.44
▸ MMP13 P45452 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ CYP19A1 P11511 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
SCHEMBL29405657 0.97 ENPP2 (0.57) ENPP2TOP1CYCSTERTABCG2
SCHEMBL11327076 0.97 ENPP2 (0.57) ENPP2TOP1CYCSTERTABCG2
SCHEMBL30201625 0.95 ENPP2 (0.56) ENPP2TOP1CYCSTERTABCG2
SCHEMBL13249184 0.95 CYCS (0.56) ENPP2TOP1CYCSTERTABCG2
SCHEMBL31154457 0.91 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL10587131 0.91 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL15134783 0.91 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL30556440 0.91 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL8355904 0.91 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL15134782 0.91 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629160-B2 Corrole-based frameworks and methods of use thereof UNIVERSITY OF SOUTH FLORIDA (US) 2023-04-18 — — US disclosed
US-11529332-B2 Corroles for treating poxvirus infection UNIVERSITE DE BOURGOGNE (FR) 2022-12-20 — — US disclosed
US-11529332-B2 Corroles for treating poxvirus infection UNIVERSITE DE BOURGOGNE (FR) 2022-12-20 — — US disclosed
US-20220267361-A1 CORROLE-BASED FRAMEWORKS AND METHODS OF USE THEREOF UNIVERSITY OF SOUTH FLORIDA 2022-08-25 — — US disclosed
US-11395816-B2 Corroles for treating human cytomegalovirus infections UNIVERSITE DE BOURGOGNE (FR) 2022-07-26 — — US disclosed
US-20210369671-A1 CORROLES FOR TREATING HUMAN CYTOMEGALOVIRUS INFECTIONS UNIVERSITE DE BOURGOGNE (FR) 2021-12-02 — — US disclosed
US-20210169853-A1 CORROLES FOR TREATING POXVIRUS INFECTION UNIVERSITE DE BOURGOGNE (FR) 2021-06-10 — — US disclosed
WO-2021035010-A1 CORROLE-BASED FRAMEWORKS AND METHODS OF USE THEREOF MA SHENGQIAN (US) 2021-02-25 — — WO disclosed
EP-3716971-A1 CORROLES FOR TREATING POXVIRUS INFECTION Université de Bourgogne (FR) 2020-10-07 — — EP disclosed
EP-3716970-A1 CORROLES FOR TREATING HUMAN CYTOMEGALOVIRUS INFECTIONS Université de Bourgogne (FR) 2020-10-07 — — EP disclosed
EP-3492078-A1 CORROLES FOR TREATING HUMAN CYTOMEGALOVIRUS INFECTIONS Université de Bourgogne (FR) 2019-06-05 — — EP disclosed
EP-3492079-A1 CORROLES FOR TREATING POXVIRUS INFECTION Université de Bourgogne (FR) 2019-06-05 — — EP 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 (6 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-11529332-B2 Corroles for treating poxvirus infection VAC14, PPOX, GPX4 ENPP2 299/4885TOP1 145/4885CYCS 184/4885
US-11395816-B2 Corroles for treating human cytomegalovirus infections MGMT, RPL35, RPL5 ENPP2 859/4885TOP1 53/4885CYCS 376/4885
US-20210169853-A1 CORROLES FOR TREATING POXVIRUS INFECTION VAC14, PPOX, GPX4 ENPP2 299/4885TOP1 145/4885CYCS 184/4885
US-11629160-B2 Corrole-based frameworks and methods of use thereof CA13, CA12, ERCC4 ENPP2 3724/4885TOP1 1379/4885CYCS 67/4885
US-20210369671-A1 CORROLES FOR TREATING HUMAN CYTOMEGALOVIRUS INFECTIONS MGMT, RPL35, RPL5 ENPP2 859/4885TOP1 53/4885CYCS 376/4885
US-20220267361-A1 CORROLE-BASED FRAMEWORKS AND METHODS OF USE THEREOF CA13, CA12, ERCC4 ENPP2 3724/4885TOP1 1379/4885CYCS 67/4885

“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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