SCHEMBL20114775

SCHEMBL20114775

CSCc1cccc(C(=O)NC2CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.64
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.47
OPRK1 P41145 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10263884 0.84 SMYD3 (0.86) SMYD3NPC1RAB9ALMNAL3MBTL1
SCHEMBL13559345 0.81 SMYD3 (0.65) SMYD3NPC1RAB9ALMNAL3MBTL1
SCHEMBL469009 0.81 SMYD3 (0.70) SMYD3NPC1RAB9ALMNAL3MBTL1
SCHEMBL2541108 0.81 SMYD3 (0.66) SMYD3NPC1RAB9ALMNAL3MBTL1
SCHEMBL20130636 0.80 SLC7A5 (0.56) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL24529101 0.78 SMYD3 (0.78) SMYD3NPC1RAB9ALMNAL3MBTL1
SCHEMBL21257402 0.78 SMYD3 (0.78) SMYD3NPC1RAB9ALMNAL3MBTL1
SCHEMBL46936 0.78 FOLH1 (0.59) RAB9ASMN1; SMN2
SCHEMBL21489836 0.78 SMYD3 (1.00) SMYD3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14438264 0.78 SMYD3 (0.61) SMYD3NPC1RAB9ALMNAL3MBTL1

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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMYD3 2656/4885NPC1 3949/4885RAB9A 32/4885

“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.