SCHEMBL20336352

SCHEMBL20336352

O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 3/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTSB P07858 1/20 0.53
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SLC6A9 P48067 2/20 0.52
SLC6A5 Q9Y345 2/20 0.52
PKM P14618 1/20 0.50

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
SCHEMBL3485340 0.89 MAPT (0.68) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL29937559 0.89 MAPT (0.68) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL23850863 0.86 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL31587805 0.86 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL31588237 0.84 MAPT (0.62) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL23850714 0.84 MAPT (0.62) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL31053843 0.83 MAPT (0.64) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL25025040 0.83 MAPT (0.64) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL18587113 0.83 MAPT (0.54) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL28744772 0.83 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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 3 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
CN-108349957-A Sulfonamide compounds as modulators of voltage-gated sodium channels 鲁平有限公司 2018-07-31 CN disclosed
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2018-07-05 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-10239869-B2 Sulfonamide compounds as voltage-gated sodium channel modulators SCN7A, SCN1A, SCN5A MAPT 3029/4885ALDH1A1 1647/4885SMN1; SMN2 427/4885
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A MAPT 3029/4885ALDH1A1 1647/4885SMN1; SMN2 427/4885

“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.