SCHEMBL11997367

SCHEMBL11997367

O=Cc1c[nH]c2c(c1=O)C(=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
DYRK1A Q13627 1/20 0.33
PTK2 Q05397 1/20 0.32
CYP2A6 P11509 1/20 0.30
IMPDH2 P12268 1/20 0.30

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
SCHEMBL3429404 0.71 PTK2 (0.44) KDM4EALDH1A1HPGDPTK2
SCHEMBL7683053 0.71 PTK2 (0.42) ALDH1A1DYRK1APTK2
SCHEMBL17354057 0.71 DYRK1A (0.36) ALDH1A1DYRK1APTK2
SCHEMBL24109419 0.71 DYRK1A (0.36) ALDH1A1LMNADYRK1APTK2
SCHEMBL24109425 0.67 DHODH (0.40) DYRK1APTK2
SCHEMBL1663484 0.67 PTK2 (0.46) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL7394232 0.66 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL18463875 0.64 PTK2 (0.37) DYRK1APTK2
SCHEMBL394742 0.64 KDM4E (0.49) KDM4EALDH1A1MAPT
SCHEMBL6952749 0.63 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532650-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-2530075-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-12-05 EP disclosed
EP-2522659-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-11-14 EP disclosed
EP-2502902-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2502913-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2489659-A1 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-08-22 EP disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 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-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM4 KDM4E 1574/4885ALDH1A1 2232/4885LMNA 3841/4885

“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.