SCHEMBL6987050

SCHEMBL6987050

NS(=O)(=O)CCCSc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL27175668 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL9865701 0.78 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8902135 0.78 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL9081971 0.76 HRH1 (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL8615154 0.76 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4687623 0.76 ALDH1A1 (0.57) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL10974209 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4685846 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4684785 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL1743337 0.75 HRH1 (0.56) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 ALDH1A1 1026/4885KMT2A 2350/4885SMN1; SMN2 4321/4885

“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.