SCHEMBL3284528

SCHEMBL3284528

O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.67
RAB9A P51151 9/20 0.67
HTT P42858 7/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPT P10636 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
KDM4E B2RXH2 2/20 0.67
ATM Q13315 1/20 0.67
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
RXFP1 Q9HBX9 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52

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
SCHEMBL14885963 0.82 TAS1R3 (0.60) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL5067154 0.82 NPC1 (0.58) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL3276738 0.80 NPC1 (0.60) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL13055719 0.77 P2RX1 (0.50) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL744173 0.77 STAT3 (0.60) NPC1RAB9AHTTALDH1A1KDM4E
SCHEMBL13056040 0.76 RXFP1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9796220 0.75 CA2 (0.71) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13056093 0.75 P2RX1 (0.51) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL7693424 0.74 EGLN1 (0.62) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL11875075 0.74 NPC1 (0.62) NPC1RAB9AHTTALDH1A1MAPT

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 23 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-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-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-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
WO-2010132404-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2010-11-18 WO disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 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 (11 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA NPC1 911/4885RAB9A 3691/4885HTT 4053/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 NPC1 4422/4885RAB9A 2827/4885HTT 600/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 NPC1 1218/4885RAB9A 4418/4885HTT 3795/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT NPC1 4407/4885RAB9A 2536/4885HTT 700/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885RAB9A 1124/4885HTT 3223/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885RAB9A 1124/4885HTT 3223/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA NPC1 313/4885RAB9A 3333/4885HTT 14/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 NPC1 429/4885RAB9A 2290/4885HTT 3533/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4521/4885RAB9A 2704/4885HTT 532/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4551/4885RAB9A 2770/4885HTT 509/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC NPC1 338/4885RAB9A 1886/4885HTT 1859/4885

“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.