SCHEMBL13056067

SCHEMBL13056067

COc1ccc(C(=O)Nc2nc(C(F)(F)C(F)(F)F)ns2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KLKB1 P03952 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ P2RX1 P51575 1/20 0.42
▸ TMPRSS4 Q9NRS4 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ KLF5 Q13887 1/20 0.41

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
SCHEMBL16253957 0.85 STAT3 (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13055737 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2AKLKB1
SCHEMBL13056037 0.79 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKLKB1
SCHEMBL13056130 0.78 P2RX1 (0.45) NPC1RAB9AMEN1KMT2AKLKB1
SCHEMBL16253960 0.78 ADORA3 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13056066 0.77 MAPT (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13056175 0.75 KLKB1 (0.44) NPC1RAB9AMEN1KMT2AKLKB1
SCHEMBL16253956 0.74 P2RX1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13055811 0.74 KLKB1 (0.45) NPC1RAB9AMEN1KMT2AKLKB1
SCHEMBL12614627 0.72 KLKB1 (0.46) NPC1RAB9AMEN1KMT2AKLKB1

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 5 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-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.

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