SCHEMBL13056178

SCHEMBL13056178

Cn1nc(C(F)F)nc1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 9/20 0.48
▸ KCNMA1 Q12791 5/20 0.48
▸ TMPRSS4 Q9NRS4 8/20 0.47
▸ P2RX4 Q99571 5/20 0.47
▸ P2RX7 Q99572 5/20 0.47
▸ KDR P35968 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MYLK Q15746 1/20 0.44
▸ MAP4K5 Q9Y4K4 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
SCHEMBL13055878 0.79 TMPRSS4 (0.49) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL13055853 0.77 TMPRSS4 (0.49) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL13056071 0.74 KCNMA1 (0.54) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL13056125 0.74 P2RX1 (0.52) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL15916108 0.70 NPC1 (0.74) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL13055739 0.69 KCNMA1 (0.60) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL13055813 0.69 P2RX1 (0.50) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL14886090 0.68 LMNA (0.72) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL13056105 0.68 P2RX1 (0.51) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL13056038 0.68 KCNMA1 (0.55) P2RX1KCNMA1TMPRSS4P2RX4P2RX7

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 P2RX1 3855/4885KCNMA1 2128/4885TMPRSS4 1983/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC P2RX1 3855/4885KCNMA1 2128/4885TMPRSS4 1983/4885

“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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