SCHEMBL13056037

SCHEMBL13056037

COc1ccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ TP53 P04637 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ USP8 P40818 1/20 0.44

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
SCHEMBL16253955 0.85 HTT (0.50) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL13056067 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13055737 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL6312067 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL12614627 0.76 KLKB1 (0.46) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL13056036 0.74 HTT (0.46) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL13055663 0.74 SCD (0.50) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13081944 0.73 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13056130 0.72 P2RX1 (0.45) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL13055811 0.72 KLKB1 (0.45) NPC1RAB9ASMN1; SMN2TP53HTT

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 6 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-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 1886/4885SMN1; SMN2 4745/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC NPC1 338/4885RAB9A 1886/4885SMN1; SMN2 4745/4885

“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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