SCHEMBL4937299

SCHEMBL4937299

Nc1ccc(N2CCC(N3CCCCC3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.43
NPY2R P49146 3/20 0.42
MBTD1 Q05BQ5 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
NR4A1 P22736 1/20 0.40
PTK2B Q14289 1/20 0.40
NOTUM Q6P988 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10157709 0.99 MAPT (0.47) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL10036255 0.88 ALDH1A1 (0.56) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL2780369 0.87 MAPT (0.55) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL6052248 0.87 MAPT (0.47) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL29649928 0.87 NR1H2 (0.49) MAPTTP53SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL282776 0.87 NR1H2 (0.49) MAPTTP53SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL25194643 0.85 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL1929368 0.85 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL30336413 0.85 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL78966 0.84 ALDH1A1 (0.56) MAPTTP53SMN1; SMN2ALDH1A1POLB

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 5 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
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
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 MAPT 450/4885TP53 668/4885SMN1; SMN2 849/4885

“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.