SCHEMBL4174404

SCHEMBL4174404

C#CCN1C(=O)C2(NC(=O)NC2=O)c2cc(C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.39
ITGA4 P13612 1/20 0.35
AKR1A1 P14550 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4164464 0.85 AKR1B1 (0.53) AKR1B1AKR1A1
SCHEMBL4166938 0.82 ITGA4 (0.49) AKR1B1ITGA4AKR1A1ALDH1A1KDM4E
SCHEMBL4255794 0.81 AKR1B1 (0.46) AKR1B1ITGA4AKR1A1ALDH1A1KDM4E
SCHEMBL4255698 0.81 POLB (0.55) AKR1B1ALDH1A1KDM4EKMT2APOLB
SCHEMBL4259885 0.80 ADAMTS5 (0.52) ALDH1A1KMT2ATP53CYP2C9MEN1
SCHEMBL4266330 0.80 POLB (0.41) AKR1B1ITGA4AKR1A1ALDH1A1KDM4E
SCHEMBL4261411 0.80 AKR1B1 (0.38) AKR1B1ALDH1A1KMT2APOLBTP53
SCHEMBL4164829 0.80 AKR1B1 (0.41) AKR1B1ALDH1A1KMT2APOLBMEN1
SCHEMBL4255427 0.80 MAPT (0.45) AKR1B1ALDH1A1KDM4EKMT2ATP53
SCHEMBL4263117 0.80 AKR1B1 (0.38) AKR1B1ITGA4AKR1A1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 AKR1B1 344/4885ITGA4 1856/4885AKR1A1 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.