Sugi Predict

Sugi Predict / Compounds / SCHEMBL4510481

SCHEMBL4510481

SCHEMBL4510481

C[C@H]1COc2c(N3CCC(NC(=O)OC(C)(C)C)C3)c(F)cc3c(=O)n(N)c(=O)n1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ KDM4D Q6B0I6 6/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALB P02768 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 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
SCHEMBL4510478 1.00 AADAT (0.40) AADATPIM1PIM3PIM2KDM4D
SCHEMBL4517807 0.87 AADAT (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4517805 0.87 AADAT (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7514311 0.86 SIRT2 (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4515418 0.86 LMNA (0.38) PIM1PIM3PIM2KDM4DCTSK
SCHEMBL4515415 0.86 LMNA (0.38) PIM1PIM3PIM2KDM4DCTSK
SCHEMBL7593551 0.81 PIM1 (0.44) AADATPIM1PIM3KDM4EALDH1A1
SCHEMBL1384479 0.81 PIM1 (0.44) AADATPIM1PIM3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4502759 0.80 PIM1 (0.43) AADATPIM1PIM3KDM4EALDH1A1
SCHEMBL4510547 0.78 PIM1 (0.42) PIM1PIM3PIM2KDM4DCTSK

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 4 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-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 AADAT 712/4885PIM1 2415/4885PIM3 1223/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS AADAT 647/4885PIM1 2400/4885PIM3 1271/4885

“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.