SCHEMBL13056036

SCHEMBL13056036

CC(=O)Oc1cc(C)ccc1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ NPC1 O15118 9/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

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 0.83 HTT (0.50) HTTLMNACYP2C9NPC1RAB9A
SCHEMBL13081843 0.81 ALDH1A1 (0.45) HTTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL3276738 0.77 NPC1 (0.60) HTTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL13056037 0.74 NPC1 (0.57) HTTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL13524036 0.73 LMNA (0.50) HTTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL12614314 0.72 ALDH1A1 (0.41) HTTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5795728 0.70 NPC1 (0.75) HTTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL11715361 0.68 HTT (0.56) HTTLMNACYP2C9NPC1RAB9A
SCHEMBL14195178 0.68 KMT2A (0.51) HTTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL13056041 0.67 MAPT (0.52) HTTLMNANPC1RAB9ASMN1; SMN2

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 8 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

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 HTT 1859/4885LMNA 3116/4885CYP2C9 1027/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC HTT 1859/4885LMNA 3116/4885CYP2C9 1027/4885

“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.

Send feedback