SCHEMBL1003529

SCHEMBL1003529

COc1ccc(NC(=O)c2cccc(I)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.68
RAB9A P51151 9/20 0.68
SMN1; SMN2 Q16637 6/20 0.64
TP53 P04637 4/20 0.64
ALOX15 P16050 1/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPT P10636 1/20 0.64
KDM4E B2RXH2 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
PKM P14618 2/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
AR P10275 1/20 0.61

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
SCHEMBL15413191 0.89 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL3679817 0.88 PGR (0.64) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL16779951 0.87 RXFP1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6802217 0.86 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1001622 0.86 KMT2A (0.58) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL27757447 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL3677300 0.84 KMT2A (0.59) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL4248125 0.84 KCNK3 (0.82) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL15412987 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6439090 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53ALOX15

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
CN-104352492-A Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD KK 2015-02-18 CN disclosed
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 NPC1 899/4885RAB9A 3688/4885SMN1; SMN2 965/4885

“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.