SCHEMBL18608786

SCHEMBL18608786

COCCCOc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
SLC6A4 P31645 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 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
SCHEMBL4524498 0.92 KDM4E (0.52) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL30549876 0.92 KDM4E (0.52) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL18586252 0.88 KDM4E (0.48) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL29276098 0.84 KDM4E (0.38) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL18608433 0.84 L3MBTL1 (0.38) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL3324430 0.83 CYP11B1 (0.39) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL3323835 0.83 L3MBTL1 (0.37) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL23648069 0.82 L3MBTL1 (0.38) KDM4EKMT2AHTTALDH1A1HPGD
SCHEMBL3324075 0.82 TDP1 (0.46) KDM4EKMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL23648160 0.81 SLC6A4 (0.45) KDM4EKMT2AHTTALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239869-B2 Sulfonamide compounds as voltage-gated sodium channel modulators LUPIN LIMITED (IN) 2019-03-26 US disclosed
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2018-07-05 US disclosed
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2018-07-05 US disclosed
WO-2017037682-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-03-09 WO 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-10239869-B2 Sulfonamide compounds as voltage-gated sodium channel modulators SCN7A, SCN1A, SCN5A KDM4E 1238/4885KMT2A 1484/4885HTT 1047/4885
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A KDM4E 1238/4885KMT2A 1484/4885HTT 1047/4885

“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.