SCHEMBL2659435

SCHEMBL2659435

O=[N+]([O-])c1cccc(N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
DRD2 P14416 2/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPK1 P28482 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57

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
SCHEMBL6862211 0.92 MEN1 (0.65) L3MBTL1DRD4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2627249 0.85 MAPT (0.69) L3MBTL1ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL4225444 0.85 KDM4E (0.61) ALDH1A1MAPK1SMN1; SMN2KDM4EMAPT
SCHEMBL1126947 0.85 POLB (0.75) L3MBTL1DRD4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3151686 0.85 POLB (0.71) L3MBTL1DRD4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31349281 0.83 ALDH1A1 (0.74) DRD4ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL15800712 0.82 ALDH1A1 (0.78) L3MBTL1ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL11552268 0.82 POLB (0.57) DRD2ALDH1A1KDM4ELMNAPOLB
SCHEMBL6864351 0.82 KDM4E (0.60) L3MBTL1ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL1126076 0.82 MAPT (0.60) L3MBTL1ALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000452-B1 Quinolone-based compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-06-19 US disclosed
US-10000452-B1 Quinolone-based compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-06-19 US disclosed
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US disclosed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 WO disclosed
US-6743796-B2 PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA; PARKINSON'S DISEASE WYETH 2004-06-01 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
US-20030013722-A1 Psychological disorders; schizophrenia; Parkinson's disease WYETH 2003-01-16 US disclosed
WO-2002090327-A1 PIPERAZINYL-ISATINS WYETH (US) 2002-11-14 WO disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 L3MBTL1 2748/4885DRD2 944/4885DRD4 556/4885
US-10000452-B1 Quinolone-based compounds, formulations, and uses thereof RECQL, NQO1, NQO2 L3MBTL1 2343/4885DRD2 4547/4885DRD4 4106/4885
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 L3MBTL1 2878/4885DRD2 1816/4885DRD4 2795/4885
US-20030013722-A1 Psychological disorders; schizophrenia; Parkinson's disease HTR2C, HTR3C, HTR5A L3MBTL1 3643/4885DRD2 6/4885DRD4 16/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 L3MBTL1 3108/4885DRD2 1504/4885DRD4 2459/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 L3MBTL1 2358/4885DRD2 959/4885DRD4 565/4885

“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.