SCHEMBL3316441

SCHEMBL3316441

COc1cc(NC(=O)Nc2ccc3c(c2)OCO3)ccc1-n1ccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
AAK1 Q2M2I8 1/20 0.55
NPC1 O15118 11/20 0.54
RAB9A P51151 11/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 4/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
TP53 P04637 4/20 0.52
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL13972620 0.85 AAK1 (0.52) KMT2AMEN1AAK1NPC1RAB9A
SCHEMBL3318293 0.84 RAB9A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4449706 0.80 AAK1 (0.65) KMT2AAAK1NPC1RAB9ASMN1; SMN2
SCHEMBL1038335 0.74 AAK1 (0.61) KMT2AAAK1POLBMAPTKDM4E
SCHEMBL107421 0.74 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3313160 0.73 AAK1 (0.53) KMT2AMEN1AAK1NPC1RAB9A
SCHEMBL8133761 0.72 KMT2A (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3316449 0.72 AAK1 (0.47) KMT2AMEN1AAK1SMN1; SMN2POLB
SCHEMBL3319364 0.71 AAK1 (0.53) KMT2AMEN1AAK1NPC1RAB9A
SCHEMBL17783138 0.71 AAK1 (1.00) AAK1

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-20100105904-A1 UREA TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-20100105904-A1 UREA TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-20100105904-A1 UREA TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
EP-2019093-A1 UREA TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 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-20100105904-A1 UREA TYPE CINNAMIDE DERIVATIVE SLC14A1, UTS2R, MAN2B1 KMT2A 3913/4885MEN1 1121/4885AAK1 2344/4885

“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.