SCHEMBL3733662

SCHEMBL3733662

CC(NCc1cc(C#CC(C)(C)O)ccc1F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
EGFR P00533 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CASR P41180 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
POLB P06746 1/20 0.35
APAF1 O14727 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 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
SCHEMBL3733659 1.00 HTT (0.47) HTTLMNAMEN1KMT2AEGFR
SCHEMBL3731216 0.88 HTT (0.40) HTTLMNAMEN1KMT2AHDAC4
SCHEMBL3742664 0.83 HTT (0.45) HTTHDAC6CASRHTR1AADORA3
SCHEMBL3742658 0.83 HTT (0.45) HTTHDAC6CASRHTR1AADORA3
SCHEMBL3734782 0.80 CASR (0.46) LMNAMEN1KMT2ASMN1; SMN2CASR
SCHEMBL3734778 0.80 CASR (0.46) LMNAMEN1KMT2ASMN1; SMN2CASR
SCHEMBL13077592 0.79 LMNA (0.42) HTTLMNAMEN1KMT2AHDAC4
SCHEMBL3737541 0.78 MEN1 (0.43) HTTLMNAMEN1KMT2AHDAC4
SCHEMBL3737539 0.78 MEN1 (0.43) HTTLMNAMEN1KMT2AHDAC4
SCHEMBL3986252 0.77 HTT (0.47) HTTMEN1KMT2AALDH1A1

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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R HTT 3886/4885LMNA 1781/4885MEN1 202/4885

“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.