SCHEMBL4841249

SCHEMBL4841249

COC(=O)COc1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GPR34 Q9UPC5 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48
LMNA P02545 1/20 0.46
VNN1 O95497 2/20 0.46

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
SCHEMBL7071723 0.89 ALDH1A1 (0.47) SMN1; SMN2GAAALDH1A1CYP1A2CYP3A4
SCHEMBL926321 0.85 SMN1; SMN2 (0.47) SMN1; SMN2GAAEGLN1VNN1
SCHEMBL10289328 0.85 PPARA (0.55) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL1482556 0.85 ALDH1A1 (0.50) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16661979 0.84 SMN1; SMN2 (0.54) SMN1; SMN2GAAGPR34LMNAVNN1
Hydrochloric Acid SCHEMBL926320 0.84 SMN1; SMN2 (0.46) SMN1; SMN2GAAEGLN1VNN1
SCHEMBL4841724 0.84 SMN1; SMN2 (0.46) SMN1; SMN2GAAEGLN1
SCHEMBL4076916 0.84 LMNA (0.62) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4932550 0.83 MMP3 (0.47) SMN1; SMN2GAAEGLN1
SCHEMBL3190220 0.83 ALOX15 (0.61) SMN1; SMN2GAAGPR34EGLN1LMNA

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 4 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
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO 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 SMN1; SMN2 2595/4885GAA 1612/4885ALDH1A1 1819/4885

“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.