SCHEMBL1001622

SCHEMBL1001622

CC(C)Oc1ccc(NC(=O)c2cccc(I)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 3/20 0.58
LMNA P02545 6/20 0.58
ALDH1A1 P00352 5/20 0.58
TP53 P04637 5/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 5/20 0.56
MAPK14 Q16539 1/20 0.56
SMO Q99835 1/20 0.56
MCL1 Q07820 1/20 0.56
USP36 Q9P275 1/20 0.55
GLA P06280 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
ALOX12 P18054 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL1003529 0.86 NPC1 (0.68) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL3679817 0.85 PGR (0.64) KMT2AMEN1KDM4ELMNATP53
SCHEMBL1002780 0.83 KMT2A (0.58) KMT2AMEN1KDM4EHSD17B10LMNA
SCHEMBL27837891 0.83 NPC1 (0.70) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL19223060 0.82 KMT2A (0.73) KMT2AMEN1KDM4EHSD17B10LMNA
SCHEMBL3677300 0.82 KMT2A (0.59) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL29831035 0.80 NPC1 (0.78) KMT2AMEN1KDM4EHSD17B10LMNA
SCHEMBL6925850 0.80 MCHR1 (0.67) KMT2AMEN1NPC1
SCHEMBL3669695 0.80 PGR (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15391018 0.80 TRPV1 (0.71) KMT2AMEN1NPC1RAB9AHTT

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
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
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 KMT2A 473/4885MEN1 4600/4885KDM4E 1335/4885

“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.