SCHEMBL172135

SCHEMBL172135

CC(=O)c1cccc(-c2cc(NC(=O)Nc3ccccc3OCCC(C)C)nn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
FYN P06241 8/20 0.41
SLC5A1 P13866 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 3/20 0.37
HTR2A P28223 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL799281 0.82 KMT2A (0.49) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL798739 0.81 KDM4E (0.41) MAPTALDH1A1FYNSLC5A1GAA
SCHEMBL798614 0.80 PDE4A (0.45) MAPTALDH1A1FYNKDM4EPOLB
SCHEMBL172059 0.77 PIK3CG (0.51) MAPTALDH1A1
SCHEMBL798882 0.75 MEN1 (0.51) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL172061 0.75 MAPT (0.45) MAPTALDH1A1FYNRAB9ANPC1
SCHEMBL799248 0.70 PIK3CA (0.48) MAPTPOLB
SCHEMBL14517911 0.70 KDM4E (0.73) GAARAB9ANPC1MEN1KMT2A
SCHEMBL798697 0.69 PIK3CD (0.43) POLB
SCHEMBL11051398 0.66 KMT2A (0.53) ALDH1A1GAARAB9ANPC1MEN1

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MAPT 2574/4885ALDH1A1 3750/4885FYN 1850/4885

“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.