SCHEMBL4929669

SCHEMBL4929669

CN(C)C(=O)c1[c]n[nH]c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4919464 0.73
SCHEMBL1768613 0.69 NOS2 (0.37)
SCHEMBL4934437 0.63 SMN1; SMN2 (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL3639242 0.63 ADRA1D (0.35) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4925041 0.62 ICAM1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL1224893 0.61 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4930064 0.61 SMN1; SMN2 (0.35) ALDH1A1HPGDSMN1; SMN2
SCHEMBL3636288 0.61 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2429717 0.60 KDM4A (0.31) ALDH1A1HPGDSMN1; SMN2
SCHEMBL1559800 0.60 MAP4K1 (0.38) ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP 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 (3 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R ALDH1A1 185/4885HPGD 80/4885SMN1; SMN2 3713/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 111/4885HPGD 39/4885SMN1; SMN2 3490/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 ALDH1A1 248/4885HPGD 1996/4885SMN1; SMN2 3660/4885

“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.