SCHEMBL17818355

SCHEMBL17818355

Nc1nc(Cl)cc(OC2CCC(NC(=O)O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
LDHA P00338 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 8/20 0.36
FAAH O00519 1/20 0.36
GAA P10253 1/20 0.35
AR P10275 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 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
SCHEMBL17832889 0.84 CACNB4 (0.49) LMNAKMT2AEPHX2CACNB4CACNA1A
SCHEMBL9949790 0.83 LDHA (0.44) LDHASMYD3KMT2ARAB9ATDP1
SCHEMBL9949786 0.83 LDHA (0.44) LDHASMYD3KMT2ARAB9ATDP1
SCHEMBL16430741 0.75 CYP1A2 (0.45) LMNAKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL5153329 0.74 LMNA (0.67) LMNAKMT2AMEN1SMN1; SMN2S1PR2
SCHEMBL16430946 0.72 LMNA (0.43) LMNAKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL20357347 0.71 AR (0.45) EPHX2FAAHARRAF1
SCHEMBL29861506 0.71 RAB9A (0.35) LDHASMYD3KMT2ARAB9AEPHX2
SCHEMBL27002902 0.71 RAB9A (0.35) LDHASMYD3KMT2ARAB9AEPHX2
SCHEMBL3196818 0.70 LMNA (0.56) LMNAKMT2ACHRM4

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-20160168132-A1 DI(HETERO)ARYLAMIDES AND SULFONAMIDES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-06-16 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-20160168132-A1 DI(HETERO)ARYLAMIDES AND SULFONAMIDES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF GLB1, GBA1, GALC LMNA 610/4885LDHA 937/4885SMYD3 2154/4885

“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.