SCHEMBL6804413

SCHEMBL6804413

Cc1ccc([N+](=O)[O-])cc1-c1cncnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 4/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 5/20 0.49
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPRC P08575 1/20 0.43
S100A4 P26447 1/20 0.43
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
BLM P54132 1/20 0.42
PDE1B Q01064 1/20 0.42

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
SCHEMBL2653137 0.83 CYP19A1 (0.54) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL429611 0.82 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL6756941 0.80 TDP1 (0.53) ALDH1A1TDP1MAPTLMNAMEN1
SCHEMBL1554414 0.79 GPR35 (0.51) ALDH1A1TDP1TSHRCYP3A4MEN1
SCHEMBL629839 0.78 PTGS2 (0.59) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL28061042 0.77 TDP1 (0.49) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL25222830 0.76 ALDH1A1 (0.51) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL17785856 0.76 ALDH1A1 (0.47) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL15292830 0.75 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL7660341 0.75 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1626532-A Amide compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
CN-1170826-C Amide compound ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN 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
CN-1376153-A Amide compound FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-23 CN 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 386/4885TDP1 2812/4885TSHR 112/4885

“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.