SCHEMBL13056038

SCHEMBL13056038

O=C(Nc1nnc(C(F)F)s1)c1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 5/20 0.55
▸ P2RX1 P51575 9/20 0.53
▸ TMPRSS4 Q9NRS4 9/20 0.53
▸ P2RX4 Q99571 6/20 0.53
▸ P2RX7 Q99572 6/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MYLK Q15746 1/20 0.47
▸ MAP4K5 Q9Y4K4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL14885963 0.80 TAS1R3 (0.60) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13055666 0.79 KCNMA1 (0.57) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13055739 0.77 KCNMA1 (0.60) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13056071 0.77 KCNMA1 (0.54) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13056044 0.76 P2RX1 (0.56) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL7609210 0.74 NQO1 (0.42) MEN1KMT2AHSD17B10
SCHEMBL7610904 0.74 MAPT (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30472740 0.74 KCNMA1 (0.64) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13056105 0.72 P2RX1 (0.51) KCNMA1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13524051 0.72 KCNMA1 (0.61) KCNMA1P2RX1TMPRSS4P2RX4P2RX7

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