SCHEMBL3738864

SCHEMBL3738864

C[C@@H](NCc1ccc(C#C[Si](C)(C)C)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CASR P41180 4/20 0.45
HTT P42858 3/20 0.44
ACACB O00763 1/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SMPD1 P17405 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL3741633 0.86 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3734417 0.85 MEN1 (0.48) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL14469578 0.81 SMN1; SMN2 (0.82) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3742938 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3742943 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3729780 0.79 CASR (0.47) CASRHTTACACBLMNACYP2D6
SCHEMBL3745177 0.79 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3745182 0.79 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3731676 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3731679 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACASRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R SMN1; SMN2 4419/4885MEN1 202/4885KMT2A 4121/4885

“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.