SCHEMBL1000727

SCHEMBL1000727

CC(C)c1ccc(NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
MAPT P10636 5/20 0.70
GAA P10253 3/20 0.70
ALDH1A1 P00352 3/20 0.70
MAPK1 P28482 3/20 0.70
LMNA P02545 2/20 0.70
KDM4E B2RXH2 2/20 0.70
HPGD P15428 1/20 0.70
HTT P42858 4/20 0.68
ROCK2 O75116 1/20 0.68
ALOX12 P18054 1/20 0.68
ROCK1 Q13464 1/20 0.68
SMN1; SMN2 Q16637 7/20 0.67
NPC1 O15118 7/20 0.67
RAB9A P51151 6/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67

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
SCHEMBL15238443 0.85 MEN1 (0.75) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL14880166 0.83 SMN1; SMN2 (0.73) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL14992382 0.81 HTT (0.73) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL485711 0.81 MEN1 (0.82) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL15140299 0.81 HTT (1.00) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL12218058 0.80 SMN1; SMN2 (1.00) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL24891684 0.79 TP53 (0.69) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL9978816 0.78 RAB9A (0.67) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21561728 0.77 RAB9A (1.00) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL12017701 0.77 ROCK2 (0.62) MEN1KMT2AMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
CN-102015638-A Long-chain fatty acid elongase inhibitor containing arylsulfonyl derivative as active ingredient BANYU PHARMA CO LTD 2011-04-13 CN disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 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 (1 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 MEN1 4600/4885KMT2A 473/4885MAPT 4157/4885

“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.