SCHEMBL1003301

SCHEMBL1003301

CC(C)c1ccc(NC(=O)c2cncc(Sc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
TP53 P04637 3/20 0.58
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
USP36 Q9P275 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL1001567 0.78 NPC1 (0.57) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL1000727 0.77 MEN1 (0.70) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL2563194 0.76 NPC1 (0.68) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL17660208 0.75 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL21561728 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL104275 0.73 NPC1 (0.68) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL24203622 0.73 PTPN1 (0.69) RAB9ANPC1SMN1; SMN2SIRT1POLB
SCHEMBL9978816 0.73 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL1003366 0.72 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL19077895 0.71 NPC1 (0.58) RAB9ANPC1SMN1; SMN2TP53CASP3

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 RAB9A 3688/4885NPC1 899/4885SMN1; 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.