SCHEMBL1926437

SCHEMBL1926437

c1csc(-c2ccc3c(c2)CCCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
LTA4H P09960 1/20 0.47
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ADORA1 P30542 2/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10410607 0.96 KCNH2 (0.50) KCNH2LTA4HNPC1MAPTRAB9A
SCHEMBL2238249 0.81 ADORA1 (0.55) KCNH2LTA4HMAPTADORA1CYP11B1
SCHEMBL31358816 0.81 ADORA1 (0.55) KCNH2LTA4HMAPTADORA1CYP11B1
SCHEMBL25404881 0.78 ASIC3 (0.54) KCNH2
SCHEMBL18554707 0.78 NOS3 (0.50) KCNH2
SCHEMBL3128454 0.78 KCNH2 (0.44) KCNH2LTA4HMAPTADORA1CYP11B1
SCHEMBL5713577 0.78 KCNH2 (0.44) KCNH2LTA4HADORA1SRD5A1ERN1
SCHEMBL7505848 0.77 HSD17B1 (0.55) KCNH2ADORA1CYP11B1CYP11B2SRD5A1
SCHEMBL1232476 0.77 KCNH2 (0.42) KCNH2LTA4HNPC1MAPTRAB9A
SCHEMBL4243227 0.77 SLC6A11 (0.48) KCNH2MEN1KMT2AADORA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
EP-1100769-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES Akzo Nobel N.V. (NL) 2001-05-23 EP disclosed
WO-2000007978-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL N.V. (NL) 2000-02-17 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KCNH2 4794/4885LTA4H 810/4885NPC1 427/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KCNH2 4794/4885LTA4H 810/4885NPC1 427/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KCNH2 4794/4885LTA4H 810/4885NPC1 427/4885

“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.