SCHEMBL4093656

SCHEMBL4093656

Nc1ccc(NC(=O)O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
EPHX2 P34913 2/20 0.50
GAA P10253 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 4/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
FADS1 O60427 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL4089269 0.85 NPC1 (0.58) EPHX1EPHX2GAANPC1RAB9A
SCHEMBL5459120 0.83 RORC (0.55) EPHX1EPHX2NPC1RAB9AMEN1
SCHEMBL3461441 0.82 KMT2A (0.67) EPHX1EPHX2GAANPC1RAB9A
SCHEMBL1092135 0.82 EPHX1 (0.73) EPHX1EPHX2GAANPC1RAB9A
SCHEMBL11322912 0.81 RAB9A (0.73) NPC1RAB9AFADS1MEN1KMT2A
SCHEMBL9137517 0.80 GSTO1 (0.52) NPC1RAB9AMAPTLMNAHTT
SCHEMBL21698047 0.80 CYP3A4 (0.51) EPHX1EPHX2NPC1RAB9AFADS1
SCHEMBL8396885 0.80 MEN1 (0.72) NPC1RAB9AMEN1KMT2AMAPT
Fluoride SCHEMBL11787935 0.80 EPHX1 (0.70) EPHX1EPHX2GAANPC1RAB9A
Hydrochloric Acid SCHEMBL11153269 0.80 EPHX1 (0.70) EPHX1EPHX2GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987579-B2 Niclosamide analogues and therapeutic use thereof DUKE UNIVERSITY (US) 2024-05-21 US disclosed
US-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS DUKE UNIVERSITY (US) 2024-05-09 US disclosed
US-11801242-B2 Compositions and methods for adjuvant cancer therapeutics DUKE UNIVERSITY (US) 2023-10-31 US disclosed
US-20220008408-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS DUKE UNIVERSITY (US) 2022-01-13 US disclosed
EP-3863633-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS Duke University (US) 2021-08-18 EP disclosed
US-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY 2021-06-17 US disclosed
WO-2020028392-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY (US) 2020-02-06 WO disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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 (6 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-20220008408-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS TP53, PLK1, NRAS EPHX1 2113/4885EPHX2 2077/4885GAA 1200/4885
US-11801242-B2 Compositions and methods for adjuvant cancer therapeutics TP53, PLK1, NRAS EPHX1 2113/4885EPHX2 2077/4885GAA 1200/4885
US-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DNER, SFRP1, WNT1 EPHX1 2998/4885EPHX2 3534/4885GAA 4114/4885
US-11987579-B2 Niclosamide analogues and therapeutic use thereof DNER, SFRP1, WNT1 EPHX1 2998/4885EPHX2 3534/4885GAA 4114/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 EPHX1 2224/4885EPHX2 3147/4885GAA 244/4885
US-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS TP53, PLK1, NRAS EPHX1 2113/4885EPHX2 2077/4885GAA 1200/4885

“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.