SCHEMBL19742275

SCHEMBL19742275

CCOC(=O)c1nc2cc([N+](=O)[O-])cc(Br)c2s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
MAPT P10636 10/20 0.42
GAA P10253 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.38
NQO2 P16083 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL17859230 0.86 ALDH1A1 (0.42) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL17859492 0.83 CYP1A2 (0.43) NPC1MAPTGAARAB9ASMN1; SMN2
SCHEMBL19742255 0.80 MAPT (0.41) NPC1MAPTGAARAB9ASMN1; SMN2
SCHEMBL20746466 0.78 ACP1 (0.52) NPC1MAPTGAARAB9ASMN1; SMN2
SCHEMBL3591269 0.77 MAPT (0.60) NPC1MAPTGAARAB9ASMN1; SMN2
SCHEMBL2380048 0.76 SMN1; SMN2 (0.59) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30723284 0.74 CYP3A4 (0.58) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL15253836 0.74 CYP3A4 (0.58) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL7587421 0.73 NPC1 (0.51) NPC1MAPTGAASMN1; SMN2HTT
SCHEMBL19742292 0.73 NPC1 (0.43) NPC1MAPTGAARAB9ASMN1; SMN2

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-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
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 1213/4885MAPT 115/4885GAA 3214/4885

“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.