SCHEMBL4501073

SCHEMBL4501073

COC1(C(C)N)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DPP4 P27487 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM1A O60341 1/20 0.44
RORC P51449 3/20 0.43
HTT P42858 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL13713166 0.90 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14160489 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4519414 0.85 KDM1A (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4500581 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30793337 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4510285 0.80 CTSL (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6285065 0.80 MEN1 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1182778 0.80 MEN1 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14160534 0.79 MEN1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4519723 0.79 MEN1 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 5 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
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

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 SMN1; SMN2 4374/4885NPC1 2794/4885RAB9A 1017/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS SMN1; SMN2 4364/4885NPC1 2749/4885RAB9A 1000/4885

“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.