SCHEMBL21049533

SCHEMBL21049533

CC(C)(C)OC(=O)Nc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
MAP4K4 O95819 1/20 0.47
CYP17A1 P05093 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
PTGS1 P23219 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
CASP6 P55212 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL19853212 0.92 NAMPT (0.54) NAMPTMAP4K4CYP17A1MEN1KMT2A
SCHEMBL78108 0.92 MAPT (0.53) NAMPTMAP4K4CYP17A1TDP1MEN1
SCHEMBL30464016 0.92 NAMPT (0.43) NAMPTMAP4K4CYP17A1TDP1MEN1
Hydrochloric Acid SCHEMBL28891842 0.90 MAPT (0.52) NAMPTMAP4K4CYP17A1TDP1MEN1
SCHEMBL3785153 0.87 CYP17A1 (0.59) NAMPTMAP4K4CYP17A1TDP1MEN1
SCHEMBL26643063 0.87 PRMT1 (0.49) NAMPTMAP4K4CYP17A1TDP1MEN1
SCHEMBL22461364 0.86 POLB (0.67) NAMPTCYP17A1TDP1MEN1LMNA
SCHEMBL21051137 0.86 NAMPT (0.52) NAMPTCYP17A1MAPTPSMB8
Methane SCHEMBL28036476 0.86 CYP17A1 (0.58) NAMPTMAP4K4CYP17A1TDP1MEN1
SCHEMBL20865537 0.84 HPGD (0.51) NAMPTMAP4K4CYP17A1TDP1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 US disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 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 (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-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 NAMPT 1822/4885MAP4K4 4601/4885CYP17A1 1361/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 NAMPT 1822/4885MAP4K4 4601/4885CYP17A1 1361/4885

“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.