SCHEMBL5863341

SCHEMBL5863341

Cc1cc(Br)ccc1-n1c(C)nc2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
POLB P06746 4/20 0.58
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
NLRP3 Q96P20 1/20 0.52
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
IDO2 Q6ZQW0 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
SCHEMBL10737421 0.86 KMT2A (0.53) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL5864107 0.81 ALDH1A1 (0.53) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL9336475 0.76 ALDH1A1 (0.80) LMNAPOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL31463103 0.76 NPC1 (0.72) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL10734185 0.75 PDE4D (0.53) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL5864222 0.74 TDO2 (0.55) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL10736404 0.74 POLB (0.53) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL10709370 0.73 NPC1 (0.55) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL29750298 0.72 POLB (0.67) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL16334540 0.72 POLB (0.67) LMNAMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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 (1 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC LMNA 508/4885MEN1 4072/4885KMT2A 2580/4885

“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.