SCHEMBL16355697

SCHEMBL16355697

COC(=O)c1ccc(N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
PTPN1 P18031 1/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP17A1 P05093 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 1/20 0.42
PTPN11 Q06124 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
SCHEMBL16355696 0.90 MAPT (0.47) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL15876021 0.90 MAPT (0.47) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20143603 0.90 MAPT (0.47) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL30182358 0.90 NAMPT (0.51) MAPTPTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL14155353 0.89 CYP17A1 (0.48) PTPN1HTTSMN1; SMN2CYP17A1L3MBTL1
SCHEMBL10092627 0.89 CYP17A1 (0.48) PTPN1HTTSMN1; SMN2CYP17A1L3MBTL1
SCHEMBL30725576 0.88 SMN1; SMN2 (0.43) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL17894453 0.86 MIF (0.45) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL13062960 0.86 CYP17A1 (0.40) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL13293398 0.86 CYP17A1 (0.43) ALDH1A1PTPN1CYP17A1GAAL3MBTL1

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-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US 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 (2 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 MEN1 3955/4885KMT2A 2839/4885MAPT 2721/4885
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 MEN1 3745/4885KMT2A 3264/4885MAPT 1339/4885

“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.