SCHEMBL4845134

SCHEMBL4845134

COC(=O)CCOc1ccccc1C#N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
HPGD P15428 1/20 0.72
TSHR P16473 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 2/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
TP53 P04637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
MAOA P21397 1/20 0.46
HTR2B P41595 1/20 0.46
THRB P10828 1/20 0.45
NOTUM Q6P988 1/20 0.45

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
SCHEMBL7218028 0.84 ALDH1A1 (0.76) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL4841450 0.83 LMNA (0.58) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL31316798 0.81 ALDH1A1 (0.52) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL3943926 0.78 ALDH1A1 (0.52) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL11585022 0.78 ALDH1A1 (0.59) ALDH1A1HPGDTSHRMAPK1NPC1
SCHEMBL828475 0.77 AR (0.53) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL9793348 0.77 ADRB1 (0.64) ALDH1A1HPGDTSHRKDM4EHTR1A
SCHEMBL7989284 0.77 SMN1; SMN2 (0.52) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL3948176 0.77 ALDH1A1 (0.51) ALDH1A1HPGDTSHRSMN1; SMN2MAPK1
SCHEMBL12465718 0.76 L3MBTL1 (0.56) HPGDTSHRSMN1; SMN2GAANPC1

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 1819/4885HPGD 3316/4885TSHR 681/4885

“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.