SCHEMBL13055873

SCHEMBL13055873

COC(=O)c1cccc(C(=O)Nc2nc(C(F)(F)C(F)(F)F)cn2C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ P2RX1 P51575 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34

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
SCHEMBL16253945 0.87 P2RX1 (0.48) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL13081859 0.81 CYP1A2 (0.36) KDM4EALDH1A1NPC1HPGDALOX12
SCHEMBL13055734 0.77 NPC1 (0.52) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL13056171 0.75 EGLN1 (0.36) KDM4EALDH1A1HPGDRAB9AEGLN1
SCHEMBL13056127 0.75 P2RX1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2PDK1
SCHEMBL13056066 0.75 MAPT (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1538293 0.68 TSHR (0.65) KDM4EALDH1A1PDK2PDK4TSHR
SCHEMBL1508457 0.66 LMNA (0.50) KDM4EALDH1A1PDK1PDK2PDK3
SCHEMBL13081427 0.64 KDM4E (0.49) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL13081444 0.64 ALDH1A1 (0.49) KDM4EALDH1A1NPC1HPGDRAB9A

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 IRAK4 4838/4885KDM4E 3253/4885ALDH1A1 1393/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC IRAK4 4838/4885KDM4E 3253/4885ALDH1A1 1393/4885

“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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