SCHEMBL6802849

SCHEMBL6802849

CC(=O)CN(C=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLO1 Q04760 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.43

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
Dinitrophenylene SCHEMBL27891496 0.80 TRPM8 (0.51) ALDH1A1MEN1KMT2ATRPM8MAPT
SCHEMBL23292628 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL30965483 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL25695968 0.77 HTR7 (0.50) ALDH1A1MEN1KMT2ATRPM8MAPT
SCHEMBL13716196 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL6799402 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATRPM8MAPT
SCHEMBL18504886 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL3412211 0.74 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL7195191 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL2017690 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTNPSR1

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-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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 (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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A ALDH1A1 386/4885MEN1 1936/4885KMT2A 2167/4885

“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.