SCHEMBL4122997

SCHEMBL4122997

N#Cc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
HCAR3 P49019 3/20 0.60
MAPT P10636 6/20 0.56
LMNA P02545 5/20 0.56
ALDH1A1 P00352 5/20 0.56
WNK1 Q9H4A3 2/20 0.56
MAPK1 P28482 2/20 0.56
KAT2B Q92831 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
POLB P06746 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
VCAM1 P19320 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 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
SCHEMBL7182042 1.00 MEN1 (0.65) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL7187372 0.99 MEN1 (0.67) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL20333669 0.96 KMT2A (0.63) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL8248585 0.93 HCAR3 (0.59) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL7185675 0.88 KMT2A (0.53) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL7179403 0.87 HCAR3 (0.53) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL7185961 0.87 HCAR3 (0.56) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL7185959 0.87 HCAR3 (0.56) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL7179398 0.87 HCAR3 (0.53) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL7183457 0.86 HCAR3 (0.52) MEN1KMT2AL3MBTL1HCAR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
EP-1429759-A4 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
EP-1429759-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS Bristol-Myers Squibb Company (US) 2004-06-23 EP disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
WO-2003026587-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 EP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 US disclosed
EP-0315959-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-17 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 MEN1 4832/4885KMT2A 2410/4885L3MBTL1 1221/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 MEN1 4832/4885KMT2A 2410/4885L3MBTL1 1221/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 MEN1 3281/4885KMT2A 4468/4885L3MBTL1 1110/4885

“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.