SCHEMBL4585313

SCHEMBL4585313

COc1cc2ccccc2cc1N(C(N)=O)c1ccc(Cc2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
HTT P42858 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP17A1 P05093 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13388901 0.84 ALDH1A1 (0.38) LMNAHTTALDH1A1KDM4ENPSR1
SCHEMBL13388590 0.81 KMT2A (0.47) LMNAALDH1A1KDM4ENPSR1MEN1
SCHEMBL13388916 0.81 MEN1 (0.47) LMNAHTTALDH1A1KDM4ENPSR1
SCHEMBL6668753 0.80 MEN1 (0.46) LMNAHTTALDH1A1KDM4ENPSR1
SCHEMBL6834975 0.79 PARP10 (0.43) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13388527 0.74 ALDH1A1 (0.39) LMNAHTTALDH1A1KDM4EMEN1
SCHEMBL5608496 0.73 KDM4E (0.40) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL27608860 0.73 CYP17A1 (0.49) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL27608792 0.73 CYP17A1 (0.49) LMNAALDH1A1KDM4ENPSR1MEN1
SCHEMBL13388556 0.71 PARP15 (0.44) ALDH1A1KDM4EMEN1KMT2AMAPT

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-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US claimed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 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-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 LMNA 4398/4885HTT 3084/4885ALDH1A1 1875/4885

“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.