SCHEMBL5236812

SCHEMBL5236812

O=C(O)CCNc1ccnc2cc(Cl)ccc12

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.85
▸ CYP1A2 P05177 1/20 0.74
▸ CCR1 P32246 1/20 0.70
▸ FERMT2 Q96AC1 4/20 0.67
▸ PKM P14618 1/20 0.60
▸ BACE1 P56817 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.56

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
SCHEMBL3647594 0.92 NR4A2 (1.00) NR4A2CYP1A2CCR1FERMT2PKM
SCHEMBL16013968 0.88 CYP1A2 (0.72) NR4A2CYP1A2CCR1FERMT2PKM
SCHEMBL18281238 0.87 CYP1A2 (0.70) NR4A2CYP1A2CCR1FERMT2PKM
SCHEMBL4213557 0.86 NR4A2 (0.72) NR4A2CYP1A2CCR1FERMT2PKM
SCHEMBL8738060 0.85 CYP1A2 (1.00) NR4A2CYP1A2CCR1FERMT2PKM
SCHEMBL23883153 0.83 CCR1 (0.78) NR4A2CYP1A2CCR1FERMT2BACE1
SCHEMBL1855080 0.83 CYP1A2 (0.82) NR4A2CYP1A2CCR1FERMT2PKM
SCHEMBL17527057 0.81 CCR1 (0.97) NR4A2CYP1A2CCR1FERMT2KMT2A
SCHEMBL15481296 0.81 CCR1 (0.97) NR4A2CYP1A2CCR1FERMT2KMT2A
SCHEMBL18962393 0.81 CYP1A2 (0.91) NR4A2CYP1A2CCR1FERMT2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 — — US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 — — US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 — — US disclosed
EP-1771456-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT Palumed SA (FR) 2007-04-11 — — EP disclosed
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 — — US disclosed
WO-2006024741-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT PALUMED S.A. (FR) 2006-03-09 — — WO disclosed
US-20060025327-A1 Hybrid molecules QA, wherein Q is an aminoquinoline and a is an antibiotic or a resistance enzyme inhibitor, their synthesis and their uses as antibacterial agent PALUMED S. A. & CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS 2006-02-02 — — US disclosed
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 — — 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 NR4A2 303/4885CYP1A2 1241/4885CCR1 2840/4885
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 NR4A2 3836/4885CYP1A2 284/4885CCR1 4884/4885
US-20060025327-A1 Hybrid molecules QA, wherein Q is an aminoquinoline and a is an antibiotic or a resistance enzyme inhibitor, their synthesis and their uses as antibacterial agent QARS1, QTRT1, QTRT2 NR4A2 4057/4885CYP1A2 76/4885CCR1 4882/4885

“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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