SCHEMBL4509936

SCHEMBL4509936

C/C(=N\O)C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 1/20 0.57
▸ CYP2D6 P10635 3/20 0.56
▸ CYP3A4 P08684 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HTT P42858 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ NPC1 O15118 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ BLM P54132 1/20 0.48

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
SCHEMBL4509940 1.00 KDM4E (0.60) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL13713184 0.83 KDM4E (0.62) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL4512048 0.83 KDM4E (0.70) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL23182183 0.83 KDM4E (0.70) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL27478430 0.83 KDM4E (0.62) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL3844177 0.80 ALDH1A1 (0.71) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL18125935 0.80 ALDH1A1 (0.71) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL14468540 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL3063205 0.78 KDM4E (0.69) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL2444402 0.77 GAA (0.77) KDM4EALDH1A1HPGDCYP2D6CYP3A4

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
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 KDM4E 1827/4885ALDH1A1 2259/4885HPGD 3238/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KDM4E 1700/4885ALDH1A1 2203/4885HPGD 3335/4885

“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.

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