SCHEMBL17816205

SCHEMBL17816205

CC(C)(C)/C=C/c1ccnc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.33
PRKCI P41743 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL31278664 0.81 LMNA (0.37) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL3688844 0.81 LMNA (0.37) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL16454308 0.79 UHRF1 (0.43)
SCHEMBL15435175 0.77 LMNA (0.41) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL20122653 0.75 CHRNA7 (0.31)
SCHEMBL17808202 0.74 LMNA (0.39) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL13508334 0.71 MAPT (0.47) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL278964 0.67 LMNA (0.41) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL29508711 0.67 UHRF1 (0.52) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL179285 0.67 UHRF1 (0.52) LMNASMN1; SMN2NPC1RAB9AHTT

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 LMNA 3862/4885SMN1; SMN2 4478/4885NPC1 4651/4885

“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.