SCHEMBL5235490

SCHEMBL5235490

CC(=O)COc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.50
HTR1D P28221 4/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SFN P31947 1/20 0.45
HPGD P15428 1/20 0.43
HTR1B P28222 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5523413 0.85 KMT2A (0.57) MAPTKMT2AL3MBTL1TSHRTP53
SCHEMBL692136 0.84 KMT2A (0.65) MRGPRX4HTR1DMAPTKMT2AALDH1A1
SCHEMBL9722695 0.84 MRGPRX4 (0.51) MRGPRX4HTR1DMAPTKMT2AALDH1A1
SCHEMBL8816518 0.83 LMNA (0.58) MRGPRX4HTR1DMAPTKMT2AALDH1A1
Alcohol SCHEMBL28150988 0.83 KMT2A (0.59) MRGPRX4HTR1DMAPTKMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL27869911 0.82 KMT2A (0.62) MRGPRX4HTR1DMAPTKMT2AALDH1A1
SCHEMBL9195201 0.82 HTT (0.53) MRGPRX4HTR1DMAPTKMT2AALDH1A1
Water SCHEMBL28856010 0.82 KMT2A (0.62) MRGPRX4HTR1DMAPTKMT2AALDH1A1
SCHEMBL27372722 0.82 KMT2A (0.62) MRGPRX4HTR1DMAPTKMT2AALDH1A1
SCHEMBL6203335 0.82 HTT (0.53) MRGPRX4HTR1DMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
EP-1786782-A2 BISARYL-SULFONAMIDES Amgen Inc. (US) 2007-05-23 EP disclosed
WO-2006020830-A2 BISARYL-SULFONAMIDES AMGEN INC. (US) 2006-02-23 WO disclosed
US-20050222448-A1 N-sulphonylaminoacetonitriles having pesticidal properties STEIGER ARTHUR 2005-10-06 US disclosed
EP-1517887-A1 N-SULPHONYLAMINOACETONITRILES HAVING PESTICIDAL PROPERTIES Novartis AG (CH) 2005-03-30 EP disclosed
WO-2004000798-A1 N-SULPHONYLAMINOACETONITRILES HAVING PESTICIDAL PROPERTIES NOVARTIS AG (CH) 2003-12-31 WO disclosed
WO-2002050052-A1 N-ACYL AMINOACETONITRILES HAVING PESTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2002-06-27 WO disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 MRGPRX4 1461/4885HTR1D 2367/4885MAPT 1883/4885
US-20050222448-A1 N-sulphonylaminoacetonitriles having pesticidal properties DDT, ACHE, NIT2 MRGPRX4 4059/4885HTR1D 3570/4885MAPT 3083/4885

“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.