SCHEMBL13055747

SCHEMBL13055747

O=C(Nc1nc(C(F)F)cs1)c1cc(O)cc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GRM5 P41594 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RRM1 P23921 1/20 0.38
▸ RRM2B Q7LG56 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL13075281 0.85 GRM5 (0.39) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL13056079 0.78 LMNA (0.42) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL1797179 0.77 GRM5 (0.56) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL13055820 0.75 HDAC1 (0.36) NPC1RAB9AHTTKDM4EHSD17B1
SCHEMBL13055887 0.73 KDR (0.36) NPC1RAB9AKDM4EGRM5MEN1
SCHEMBL22532026 0.70 L3MBTL1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL13056131 0.70 NQO2 (0.33) RAB9ASMN1; SMN2HTTKDM4EHSD17B1
SCHEMBL31027184 0.69 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL29236196 0.69 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL13055739 0.69 KCNMA1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 10 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-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
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 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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