SCHEMBL13056074

SCHEMBL13056074

O=C(Nc1nc(S(=O)(=O)C(F)(F)F)ns1)c1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 8/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
TP53 P04637 4/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 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
RXFP1 Q9HBX9 1/20 0.48
P2RX1 P51575 2/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
LMNA P02545 4/20 0.42
THRB P10828 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL13056058 0.81 NPC1 (0.57) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13056081 0.78 RAB9A (0.39) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13055742 0.78 NPC1 (0.61) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13056126 0.75 P2RX1 (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13056179 0.73 P2RX1 (0.42) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL741587 0.73 NPC1 (0.76) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13056093 0.71 P2RX1 (0.51) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13055826 0.70 P2RX1 (0.44) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13056040 0.70 RXFP1 (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL3284528 0.69 NPC1 (0.67) NPC1RAB9AMEN1KMT2ATP53

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-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-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES, L.C. (US) 2014-11-20 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-20100292274-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. 2010-11-18 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 (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 NPC1 338/4885RAB9A 1886/4885MEN1 4793/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC NPC1 338/4885RAB9A 1886/4885MEN1 4793/4885

“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.