SCHEMBL19742250

SCHEMBL19742250

CCOC(=O)c1sc2c(C(F)(F)F)cc([N+](=O)[O-])cc2[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.43
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.35
SETD7 Q8WTS6 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL9736535 0.86 NPC1 (0.46) PLK1NPC1MAPTMEN1KMT2A
SCHEMBL19742292 0.83 NPC1 (0.43) PLK1NPC1MAPTMEN1KMT2A
SCHEMBL15253960 0.80 PLK1 (0.69) PLK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17859492 0.75 CYP1A2 (0.43) NPC1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16638001 0.72 NPC1 (0.48) NPC1MAPTMEN1KMT2ARAB9A
SCHEMBL5171763 0.71 MAPT (0.42) PLK1NPC1MAPTMEN1KMT2A
SCHEMBL9735443 0.69 PLK1 (0.55) PLK1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL9488468 0.68 PLK1 (0.61) PLK1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL23525860 0.65 AKR1B1 (0.42) NPC1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29945730 0.65 AKR1B1 (0.42) NPC1CYP1A2CYP2C9CYP2C19MAPT

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-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 PLK1 857/4885NPC1 1213/4885CYP1A2 3170/4885

“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.