SCHEMBL939974

SCHEMBL939974

Cn1ncc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 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
Benzamide SCHEMBL27827170 0.85 TSHR (0.43) POLBL3MBTL1KDM4EGAAPKM
SCHEMBL17469085 0.85 PKM (0.39) POLBKDM4EGAAPKMTSHR
SCHEMBL3060859 0.84 MEN1 (0.39) POLBL3MBTL1KDM4EGAAPKM
SCHEMBL5202849 0.84 MAPT (0.41) POLBKDM4EGAAPKMMEN1
SCHEMBL354031 0.81 GAA (0.43) POLBKDM4EGAAPKMMEN1
SCHEMBL25106757 0.80 KDM4E (0.43) POLBL3MBTL1KDM4ETSHRKMT2A
SCHEMBL25106572 0.80 SMN1; SMN2 (0.41) POLBL3MBTL1TSHRMEN1KMT2A
SCHEMBL28783815 0.77 LMNA (0.39) POLBKDM4EGAAPKMMEN1
SCHEMBL937869 0.77 PKM (0.57) POLBGAAPKMTSHRMEN1
SCHEMBL15825776 0.76 ATM (0.38) POLBL3MBTL1KDM4EGAAPKM

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-10160745-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-12-25 US disclosed
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-11 US disclosed
EP-3030553-B1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-03 EP disclosed
US-9790201-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-17 US disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-9512128-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2016-12-06 US disclosed
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-30 US disclosed
US-6329372-B1 HETEROCYCLIC AMIDE COMPOUNDS ARE ABLE TO INHIBIT THE BINDING OF ALPHA4 INTEGRINS TO THEIR LIGANDS AND ARE OF USE IN THE PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS. CELLTECH THERAPEUTICS LIMITED (GB) 2001-12-11 US disclosed
EP-1135371-A1 BETA-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-09-26 EP disclosed
EP-1051399-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2000-11-15 EP disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 WO disclosed
WO-2000032575-A1 β-ALANINE DERIVATIVES AS α4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-06-08 WO disclosed
WO-1999037618-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-29 WO disclosed
US-4235995-A BACTERIOCIDES, PARASITICIDES, HERBICIDES ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4145554-A BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4066776-A Anti-bacterial compositions containing certain 3-nitropyrazoles ELI LILLY AND COMPANY (US) 1978-01-03 US 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-10160745-B2 Piperidine and azepine derivatives as prokineticin receptor modulators GIPR, PROKR1, PROKR2 POLB 4358/4885L3MBTL1 4871/4885KDM4E 2884/4885
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 POLB 4345/4885L3MBTL1 4873/4885KDM4E 2910/4885
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 POLB 4358/4885L3MBTL1 4871/4885KDM4E 2884/4885

“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.