SCHEMBL13056079

SCHEMBL13056079

O=C(Nc1nc(C(F)F)ns1)c1cc(O)cc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ ADORA3 P0DMS8 5/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ THRB P10828 2/20 0.37
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NQO2 P16083 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL18133035 0.85 ADORA3 (0.39) LMNAADORA3HSD17B1MAPTTP53
SCHEMBL13055747 0.78 NPC1 (0.45) LMNAHSD17B1MAPTNPC1RAB9A
SCHEMBL13056131 0.75 NQO2 (0.33) LMNAHSD17B1MAPTTP53RAB9A
SCHEMBL13056184 0.73 MEN1 (0.35) LMNAHSD17B1NPC1RAB9ASMN1; SMN2
SCHEMBL13055820 0.70 HDAC1 (0.36) LMNAHSD17B1MAPTTP53NPC1
SCHEMBL13056071 0.69 KCNMA1 (0.54) —
SCHEMBL13055887 0.68 KDR (0.36) LMNAADORA3TP53NPC1RAB9A
SCHEMBL15649255 0.63 KDM4E (0.55) LMNAADORA3MAPTTP53NPC1
SCHEMBL13075281 0.62 GRM5 (0.39) HSD17B1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17295638 0.61 NQO2 (0.60) LMNAMAPTTP53NPC1RAB9A

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 9 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
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 LMNA 3116/4885ADORA3 3532/4885HSD17B1 1742/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC LMNA 3116/4885ADORA3 3532/4885HSD17B1 1742/4885

“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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