SCHEMBL19742292

SCHEMBL19742292

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 6/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
PTPN1 P18031 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 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
SCHEMBL9736535 0.89 NPC1 (0.46) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19742250 0.83 PLK1 (0.43) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15253960 0.74 PLK1 (0.69) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL5171763 0.74 MAPT (0.42) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19742275 0.73 NPC1 (0.44) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9735443 0.71 PLK1 (0.55) NPC1SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL7587421 0.70 NPC1 (0.51) NPC1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7591886 0.69 NPC1 (0.50) NPC1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL28057357 0.69 NPC1 (0.50) NPC1SMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL7791316 0.68 SMN1; SMN2 (0.64) NPC1SMN1; SMN2MAPTMEN1KMT2A

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 NPC1 1213/4885SMN1; SMN2 1589/4885MAPT 115/4885

“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.