SCHEMBL3391827

SCHEMBL3391827

Cc1nc2cccc(Cl)c2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.56
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALOX5 P09917 1/20 0.41
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37

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
SCHEMBL7958840 0.79 RAB9A (0.49) RAB9ANPC1TLR8TLR7SMN1; SMN2
SCHEMBL1851438 0.79 PSMB8 (0.59) PSMB8ALOX5SMN1; SMN2TDP1ALDH1A1
SCHEMBL31063715 0.79 RAB9A (0.49) RAB9ANPC1TLR8TLR7SMN1; SMN2
SCHEMBL18791158 0.78 PSMB8 (0.58) PSMB8ALOX5PARP1SMN1; SMN2TDP1
SCHEMBL4857995 0.78 APP (0.50) RAB9ANPC1TLR8TLR7ALOX5
SCHEMBL9675948 0.77 PSMB8 (0.57) PSMB8RAB9ANPC1ALOX5SMN1; SMN2
SCHEMBL25156042 0.76 RAB9A (0.42) PSMB8RAB9ANPC1TLR8TLR7
SCHEMBL7216764 0.76 RAB9A (0.42) PSMB8RAB9ANPC1TLR8TLR7
SCHEMBL30626911 0.76 RAB9A (0.42) PSMB8RAB9ANPC1TLR8TLR7
SCHEMBL2171030 0.76 RAB9A (0.46) RAB9ANPC1TLR8TLR7SMN1; SMN2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US claimed
CN-117043156-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-11-10 CN disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
EP-2855471-B1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP disclosed
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-12 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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 (6 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-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PSMB8 4013/4885RAB9A 2799/4885NPC1 1400/4885
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK PSMB8 1425/4885RAB9A 3584/4885NPC1 3691/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E PSMB8 1039/4885RAB9A 1911/4885NPC1 2114/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 PSMB8 507/4885RAB9A 2285/4885NPC1 3230/4885
US-20150322089-A1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA2, CHRNA1 PSMB8 1853/4885RAB9A 659/4885NPC1 803/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 PSMB8 2333/4885RAB9A 2308/4885NPC1 1678/4885

“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.