SCHEMBL5894352

SCHEMBL5894352

COc1ccc(C#CCN2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
HRH3 Q9Y5N1 4/20 0.62
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
PKM P14618 1/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
GFER P55789 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 2/20 0.49
MCHR1 Q99705 1/20 0.47
MAPT P10636 1/20 0.47
LTA4H P09960 1/20 0.47
GRIN1 Q05586 1/20 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
Hydrochloric Acid SCHEMBL5894403 0.98 LMNA (0.69) LMNAHRH3KDM4EALDH1A1PKM
SCHEMBL22422293 0.86 LMNA (0.96) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL18926546 0.84 LMNA (1.00) LMNAHRH3ALDH1A1KMT2AGRIN1
SCHEMBL5730258 0.81 LMNA (0.79) LMNAHRH3KDM4EALDH1A1KMT2A
SCHEMBL12203973 0.80 LMNA (0.81) LMNAHRH3KDM4EALDH1A1KMT2A
SCHEMBL3453099 0.78 LMNA (0.79) LMNAHRH3KDM4EALDH1A1GAA
SCHEMBL5730065 0.78 LMNA (0.78) LMNAHRH3ALDH1A1KMT2AGRIN1
SCHEMBL4595408 0.77 HRH3 (0.76) LMNAHRH3LTA4H
SCHEMBL4089524 0.77 HRH3 (1.00) LMNAHRH3
SCHEMBL4501961 0.76 LMNA (0.81) LMNAHRH3ALDH1A1KMT2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173044-A1 Substituted propargylamines BAYER CROPSCIENCE S.A. (FR) 2006-08-03 US disclosed
US-7084158-B2 Substituted propargylamines BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040014784-A1 Substituted propargylamines MERIAL, INC. 2004-01-22 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 (2 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-20040014784-A1 Substituted propargylamines CBR1, CBR3, NAT1 LMNA 3591/4885HRH3 4/4885KDM4E 1660/4885
US-20060173044-A1 Substituted propargylamines CBR3, HRH4, HRH3 LMNA 3592/4885HRH3 3/4885KDM4E 1033/4885

“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.