SCHEMBL4833263

SCHEMBL4833263

COC(=O)CCNc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.47
MCHR1 Q99705 1/20 0.46
HSD17B10 Q99714 3/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP7 P55210 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HTT P42858 1/20 0.44

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
Hydrochloric Acid SCHEMBL4833254 0.99 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2PDK1PDK2
SCHEMBL24258886 0.89 LMNA (0.47) ALDH1A1MAPTSMN1; SMN2PDK1PDK2
SCHEMBL9779966 0.85 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2PDK1PDK2
SCHEMBL4030860 0.84 LMNA (0.54) ALDH1A1MAPTSMN1; SMN2PDK1PDK2
SCHEMBL4833044 0.82 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL4833038 0.81 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
Water SCHEMBL27467718 0.79 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9468482 0.79 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL27993807 0.79 PDK1 (0.47) ALDH1A1MAPTSMN1; SMN2PDK1PDK2
SCHEMBL10126717 0.78 MTNR1B (0.67) ALDH1A1SMN1; SMN2KMT2AGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 ALDH1A1 1819/4885MAPT 763/4885SMN1; SMN2 2595/4885

“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.