SCHEMBL4501237

SCHEMBL4501237

O/N=C1\CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
PNMT P11086 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.46
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MC4R P32245 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL4501240 1.00 SIGMAR1 (0.52) SIGMAR1PNMTMEN1KMT2ATSHR
SCHEMBL10365169 1.00 SIGMAR1 (0.52) SIGMAR1PNMTMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL9005477 0.98 SIGMAR1 (0.50) SIGMAR1PNMTMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL9005481 0.98 SIGMAR1 (0.50) SIGMAR1PNMTMEN1KMT2ATSHR
SCHEMBL7270268 0.89 SIGMAR1 (0.61) SIGMAR1MEN1KMT2ATSHRGAA
SCHEMBL6990785 0.83 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ATSHRGAA
SCHEMBL6990786 0.83 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ATSHRGAA
Methoxymethane SCHEMBL10628191 0.83 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ATSHRGAA
SCHEMBL9230592 0.81 SIGMAR1 (0.50) SIGMAR1PNMTMEN1KMT2AGAA
SCHEMBL9230590 0.81 SIGMAR1 (0.50) SIGMAR1PNMTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-0591030-A2 1-Heteroaryl-azetidines and -pyrrolidines as 5-HT3 agonists SANOFI (FR) 1994-04-06 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 SIGMAR1 274/4885PNMT 4530/4885MEN1 3683/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS SIGMAR1 272/4885PNMT 4537/4885MEN1 3666/4885

“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.