SCHEMBL20312698

SCHEMBL20312698

O=C(Cc1cccc(Br)c1)NCC1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.72
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 1/20 0.57
SIGMAR1 Q99720 4/20 0.50
EPHX2 P34913 2/20 0.48
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.45

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
SCHEMBL11626642 0.84 NPC1 (0.72) NPC1MEN1KMT2ARAB9AEPHX2
SCHEMBL8395990 0.83 NPC1 (0.73) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8393668 0.83 NPC1 (0.73) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8396806 0.81 NPC1 (0.70) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL335312 0.80 AIMP2 (0.49) NPC1SIGMAR1EGFRERBB2
SCHEMBL23302363 0.78 NPC1 (0.64) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8395513 0.78 NPC1 (0.66) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL29836780 0.78 MEN1 (1.00) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL2575801 0.77 NPC1 (0.74) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL11630837 0.77 NPC1 (0.65) NPC1RAB9AALDH1A1EPHX2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 NPC1 505/4885MEN1 4838/4885KMT2A 1359/4885

“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.