SCHEMBL743401

SCHEMBL743401

CC(=O)Oc1ccccc1C(=O)Nc1ncc(C(F)(F)F)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
LMNA P02545 2/20 0.64
MAPK1 P28482 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TSHR P16473 2/20 0.64
PTGS1 P23219 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MLNR O43193 1/20 0.64
NR1I2 O75469 1/20 0.64
ABCB11 O95342 1/20 0.64
TP53 P04637 1/20 0.64
ADRB2 P07550 1/20 0.64
CHRM2 P08172 1/20 0.64
ADRB1 P08588 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADRA2A P08913 1/20 0.64

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
SCHEMBL25491131 0.84 ALDH1A1 (0.68) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL13075975 0.83 NPC1 (0.69) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL13055672 0.82 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL13524023 0.82 NPC1 (0.68) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL19428399 0.82 NPC1 (0.68) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL31665144 0.82 RAB9A (0.51) ALDH1A1NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL30142719 0.81 RXFP1 (0.52) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL24074019 0.81 RXFP1 (0.52) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL2695935 0.81 NPC1 (0.66) ALDH1A1NPC1RAB9ALMNAMAPK1
SCHEMBL744173 0.80 STAT3 (0.60) ALDH1A1NPC1RAB9ALMNAMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47786-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES L.C. (US) 2019-12-31 US disclosed
US-RE47786-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES L.C. (US) 2019-12-31 US disclosed
US-RE46724-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2018-02-20 US disclosed
US-RE46724-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2018-02-20 US disclosed
US-RE46724-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2018-02-20 US disclosed
EP-2429986-B1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LAB LC (US) 2016-11-16 EP disclosed
EP-3078377-A2 NITAZOXANIDE AND TIZOXANIDE AS ANTI-VIRAL AGENTS Romark Laboratories, L.C. (US) 2016-10-12 EP disclosed
EP-3078377-A2 NITAZOXANIDE AND TIZOXANIDE AS ANTI-VIRAL AGENTS Romark Laboratories, L.C. (US) 2016-10-12 EP disclosed
US-9126992-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2015-09-08 US disclosed
US-9126992-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2015-09-08 US disclosed
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES, L.C. (US) 2014-11-20 US disclosed
US-8846727-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2014-09-30 US disclosed
US-8846727-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2014-09-30 US disclosed
US-8846727-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2014-09-30 US disclosed
EP-2429986-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS Romark Laboratories, L.C. (US) 2012-03-21 EP disclosed
US-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. 2010-11-18 US disclosed
US-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. 2010-11-18 US disclosed
US-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. 2010-11-18 US disclosed
WO-2010132404-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2010-11-18 WO disclosed
WO-2010132404-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2010-11-18 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 (2 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-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC ALDH1A1 1393/4885NPC1 338/4885RAB9A 1886/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC ALDH1A1 1393/4885NPC1 338/4885RAB9A 1886/4885

“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.