SCHEMBL4935554

SCHEMBL4935554

CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
PKM P14618 1/20 0.62
ALDH1A1 P00352 8/20 0.59
HPGD P15428 2/20 0.59
POLB P06746 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 5/20 0.52
MEN1 O00255 4/20 0.51
MAPK1 P28482 1/20 0.48
SLC6A5 Q9Y345 2/20 0.47
RAB9A P51151 1/20 0.46
SLC6A9 P48067 1/20 0.46

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
SCHEMBL30309476 0.87 KMT2A (0.62) KMT2APKMALDH1A1HPGDPOLB
SCHEMBL30309447 0.86 KMT2A (0.61) KMT2APKMALDH1A1HPGDPOLB
SCHEMBL4937576 0.86 KMT2A (0.61) KMT2APKMALDH1A1HPGDPOLB
SCHEMBL30309479 0.86 KMT2A (0.61) KMT2APKMALDH1A1HPGDPOLB
SCHEMBL18775266 0.85 L3MBTL1 (0.59) KMT2AALDH1A1HPGDPOLBMAPT
SCHEMBL28419187 0.85 KMT2A (0.60) KMT2APKMALDH1A1HPGDPOLB
SCHEMBL10126582 0.84 MAPT (0.70) KMT2AALDH1A1HPGDPOLBMAPT
SCHEMBL30309422 0.83 ALDH1A1 (0.60) KMT2APKMALDH1A1HPGDPOLB
SCHEMBL20569608 0.83 KMT2A (0.58) KMT2APKMALDH1A1HPGDPOLB
SCHEMBL22164001 0.83 ALDH1A1 (0.60) KMT2APKMALDH1A1HPGDPOLB

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
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA KMT2A 1081/4885PKM 491/4885ALDH1A1 3290/4885

“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.