SCHEMBL3707475

SCHEMBL3707475

Cc1ccc(C#CCN2CCOCC2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
EGFR P00533 1/20 0.41
MMP13 P45452 1/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CSF1R P07333 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2A13 Q16696 1/20 0.40

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
SCHEMBL2955191 0.87 LMNA (0.45) LMNAEGFRMMP13CSF1RHRH3
SCHEMBL24474658 0.83 LMNA (0.58) LMNAPOLBALDH1A1NPC1HRH3
SCHEMBL30881164 0.82 MAPK14 (0.44) LMNAALDH1A1MMP13CSF1RKDM4E
SCHEMBL28393218 0.76 LMNA (0.58) LMNAALDH1A1EGFRHRH3KDM4E
SCHEMBL24474667 0.76 LMNA (0.58) LMNAALDH1A1MAPK1EGFRMMP13
SCHEMBL3634873 0.76 LMNA (0.56) LMNAPOLBMAPK1HRH3MEN1
SCHEMBL29235414 0.75 EGFR (0.46) LMNAALDH1A1EGFRMMP13CSF1R
SCHEMBL13178047 0.75 CSF1R (0.47) POLBMAPK1MMP13CSF1RHRH3
SCHEMBL25747232 0.74 LMNA (0.64) LMNAALDH1A1HRH3KDM4E
SCHEMBL13778489 0.74 KCNJ5 (0.47) LMNAALDH1A1EGFRMMP13

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 LMNA 2130/4885POLB 3109/4885ALDH1A1 238/4885

“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.