SCHEMBL5708677

SCHEMBL5708677

Cc1nc(C2CCC2)cs1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
FPR1 P21462 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.42
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
C1S P09871 1/20 0.36
FEN1 P39748 1/20 0.35

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
SCHEMBL21610736 0.96 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3395754 0.94 MAPK1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8003695 0.91
SCHEMBL22448993 0.86 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8256801 0.84 MAPT (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL22860589 0.82 HRH4 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10194544 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2671753 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2583255 0.77 ADORA1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2583252 0.77 ADORA1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
WO-2012020022-A1 6-CYCLOALKYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-16 WO disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
EP-0999209-B1 2-SULFAMOYLBENZOIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2006-11-02 EP disclosed
US-20020049228-A1 2-Sulfamoylbenzoic acid derivatives KAKEN PHARMACEUTICALS 2002-04-25 US disclosed
US-6376671-B1 LEUKOTRIENE AND THROMBOXANE A2 ANTAGONISTIC AGENTS; ANTIALLERGIC AGENTS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6255321-B1 ANTIALLERGENS; RESPIRATRORY SYSTEM DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2001-07-03 US disclosed
EP-0999209-A1 2-SULFAMOYLBENZOIC ACID DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2000-05-10 EP 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 (2 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-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2342/4885NPC1 322/4885SMN1; SMN2 2582/4885
US-20020049228-A1 2-Sulfamoylbenzoic acid derivatives LTB4R2, LTB4R, CYSLTR2 RAB9A 3630/4885NPC1 4511/4885SMN1; SMN2 3943/4885

“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.