SCHEMBL19002669

SCHEMBL19002669

CCC(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 2/20 0.51
SIGMAR1 Q99720 1/20 0.48
FAAH O00519 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
P4HB P07237 1/20 0.47
CACNA1G O43497 1/20 0.47
AKR1C3 P42330 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
SCHEMBL14496362 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HTTPOLBKDM4E
SCHEMBL19049372 0.86 HRH3 (0.66) SMN1; SMN2GAAALDH1A1HTTPOLB
SCHEMBL1005987 0.85 FAAH (0.54) SMN1; SMN2GAAPOLBSIGMAR1FAAH
SCHEMBL19002246 0.83 HRH3 (0.55) SMN1; SMN2ALDH1A1HTTPOLBKDM4E
SCHEMBL24827581 0.83 SMN1; SMN2 (0.50) SMN1; SMN2GAAALDH1A1HTTPOLB
SCHEMBL19002674 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GAAALDH1A1HTTPOLB
SCHEMBL3245833 0.80 ATM (0.71) SMN1; SMN2ALDH1A1HTTPOLBFAAH
SCHEMBL1006605 0.80 VEGFA (0.55) SMN1; SMN2GAAHTTSIGMAR1FAAH
SCHEMBL14642155 0.79 HRH3 (0.54) SMN1; SMN2ALDH1A1HTTPOLBKDM4E
SCHEMBL27760871 0.79 LMNA (0.58) SMN1; SMN2ALDH1A1HTTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SMN1; SMN2 4331/4885GAA 2713/4885ALDH1A1 2765/4885

“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.