SCHEMBL4514786

SCHEMBL4514786

CC(C)(C)OC(=O)N(N)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
SLC7A5 Q01650 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 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
SCHEMBL5737167 0.88 MAPT (0.42) ALDH1A1TSHRPOLBHDAC3HDAC1
SCHEMBL30616197 0.82 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1POLB
SCHEMBL1401073 0.82 PARP1 (0.46) ALDH1A1TSHRTDP1POLBSLC7A5
SCHEMBL29277587 0.82 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1HDAC1
SCHEMBL6529111 0.81 GPR119 (0.46) SLC7A5HDAC3HDAC1HDAC2NCOR2
SCHEMBL21470599 0.81 CYP1A2 (0.46) ALDH1A1TSHRHSD17B10TDP1POLB
SCHEMBL5170962 0.80 TSHR (0.50) ALDH1A1TSHRTDP1POLBHDAC1
SCHEMBL25984799 0.78 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10TDP1POLB
SCHEMBL8779784 0.78 L3MBTL1 (0.47) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL5908845 0.78 POLB (0.46) TSHRPOLBCYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724325-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING Codexis, Inc. (US) 2020-10-21 EP claimed
WO-2019118557-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING CODEXIS, INC. (US) 2019-06-20 WO claimed
EP-3724325-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING Codexis, Inc. (US) 2020-10-21 EP disclosed
WO-2020077459-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO, S.E.C. (CA) 2020-04-23 WO disclosed
WO-2019118557-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING CODEXIS, INC. (US) 2019-06-20 WO disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 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 (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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 ALDH1A1 2259/4885TSHR 1500/4885HSD17B10 2598/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ALDH1A1 2203/4885TSHR 1599/4885HSD17B10 2568/4885

“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.