SCHEMBL744173

SCHEMBL744173

O=C(Nc1ncc(C(F)(F)F)s1)c1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.60
NPC1 O15118 7/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
RXFP1 Q9HBX9 1/20 0.51
P2RX1 P51575 2/20 0.50
P2RX4 Q99571 1/20 0.50
P2RX7 Q99572 1/20 0.50
KDM4E B2RXH2 4/20 0.48
TP53 P04637 3/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RCE1 Q9Y256 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR2 O15552 2/20 0.46
LMNA P02545 2/20 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
SCHEMBL30339207 0.85 NPC1 (0.54) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL31665144 0.85 RAB9A (0.51) STAT3NPC1RAB9ARXFP1KDM4E
SCHEMBL24073820 0.85 NPC1 (0.54) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL30142719 0.82 RXFP1 (0.52) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL28805498 0.82 STAT3 (0.55) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL24074019 0.82 RXFP1 (0.52) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL24823416 0.82 KCNMA1 (0.57) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL743401 0.80 ALDH1A1 (0.64) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL16256828 0.79 STAT3 (0.64) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL13836739 0.79 STAT3 (0.64) STAT3NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429986-B1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LAB LC (US) 2016-11-16 EP claimed
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-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-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 STAT3 4348/4885NPC1 338/4885RAB9A 1886/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC STAT3 4348/4885NPC1 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.