SCHEMBL6027227

SCHEMBL6027227

O=C(Nc1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
PTPN1 P18031 3/20 0.51
PTPN2 P17706 1/20 0.51
HDAC1 Q13547 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
EPHX1 P07099 1/20 0.46
SCN2A Q99250 1/20 0.45
ROCK1 Q13464 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN3A Q9NY46 2/20 0.44
SCN9A Q15858 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 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
SCHEMBL6026099 0.97 NAMPT (0.54) NAMPTPTPN1PTPN2HDAC1KMT2A
SCHEMBL6026103 0.94 HDAC1 (0.52) NAMPTPTPN1PTPN2HDAC1KMT2A
SCHEMBL6028360 0.90 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6028790 0.90 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14305032 0.90 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14311202 0.90 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6028319 0.84 PTPN1 (0.54) NAMPTPTPN1PTPN2ALDH1A1SMN1; SMN2
SCHEMBL6029160 0.84 PTPN1 (0.54) NAMPTPTPN1PTPN2ALDH1A1SMN1; SMN2
SCHEMBL6887046 0.84 PTPN1 (0.54) PTPN1PTPN2KMT2AALDH1A1MAPT
SCHEMBL6028361 0.84 PTPN1 (0.54) PTPN1PTPN2KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 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 (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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 NAMPT 2391/4885PTPN1 2513/4885PTPN2 2100/4885

“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.