SCHEMBL4174602

SCHEMBL4174602

O=C1NC(=O)C2(N1)C(=O)N(Cc1cccnc1)c1ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
AKR1B1 P15121 4/20 0.43
AKR1A1 P14550 3/20 0.43
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
ADAM17 P78536 2/20 0.39
PARK7 Q99497 1/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ADAMTS5 Q9UNA0 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
SCHEMBL4260419 0.87 PARK7 (0.51) ALDH1A1AKR1B1AKR1A1PARK7PTGDR2
SCHEMBL4160449 0.82 AKR1B1 (0.45) AKR1B1AKR1A1PARK7PTGDR2
SCHEMBL4169552 0.81 AKR1B1 (0.45) AKR1B1AKR1A1PARK7PTGDR2
SCHEMBL4163964 0.81 AKR1B1 (0.41) AKR1B1AKR1A1GRIN1GRIN2BADAMTS5
SCHEMBL4259962 0.80 AKR1A1 (0.50) AKR1B1AKR1A1TP53GAAPTGDR2
SCHEMBL10955668 0.79 AKR1B1 (0.47) ALDH1A1AKR1B1AKR1A1PARK7CYP3A4
SCHEMBL4164986 0.78 PARK7 (0.64) ALDH1A1AKR1B1AKR1A1PARK7TP53
SCHEMBL4255745 0.78 AKR1B1 (0.47) AKR1B1AKR1A1PARK7TP53PTGDR2
SCHEMBL4161594 0.78 AKR1B1 (0.42) AKR1B1AKR1A1PARK7PTGDR2
SCHEMBL4262828 0.77 AKR1B1 (0.46) AKR1B1AKR1A1PARK7PTGDR2

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
EP-0127412-B1 IMIDAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1990-10-17 EP claimed
EP-0127412-A2 Imidazolidinedione derivatives PFIZER INC. (US) 1984-12-05 EP claimed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-0127412-B1 IMIDAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1990-10-17 EP disclosed
US-4533667-A FOR TREATMENT OF DIABETES PFIZER INC. (US) 1985-08-06 US disclosed
US-4533667-A FOR TREATMENT OF DIABETES PFIZER INC. (US) 1985-08-06 US disclosed
EP-0127412-A2 Imidazolidinedione derivatives PFIZER INC. (US) 1984-12-05 EP disclosed
EP-0127412-A2 Imidazolidinedione derivatives PFIZER INC. (US) 1984-12-05 EP disclosed
US-4464380-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1984-08-07 US disclosed
US-4464380-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1984-08-07 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 (1 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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 ALDH1A1 550/4885AKR1B1 344/4885AKR1A1 310/4885

“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.