SCHEMBL13377191

SCHEMBL13377191

Cc1c(C(F)(F)F)n2c(nc1=O)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 3/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL13377169 0.98 MEN1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL13377167 0.94 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL13377083 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL13377049 0.74 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL13377203 0.74
SCHEMBL13377200 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL13377236 0.73 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL13377177 0.73
SCHEMBL13377174 0.72 KMT2A (0.33) KMT2A
SCHEMBL13377189 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1

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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 US disclosed
US-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES UQCRB, CCNB3, CCNB1 SMN1; SMN2 4756/4885ALDH1A1 3070/4885MEN1 2756/4885

“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.