SCHEMBL100932

SCHEMBL100932

Cc1[c]cccc1-c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
NOTUM Q6P988 1/20 0.35
HTR7 P34969 1/20 0.35
GAA P10253 1/20 0.34
IDO1 P14902 1/20 0.34
METAP2 P50579 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL22115865 0.88
SCHEMBL1263545 0.81
SCHEMBL7532639 0.80 NPC1 (0.38) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL4429990 0.79 ELANE (0.38) ACHENPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8125019 0.78 ACHE (0.39) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL11673948 0.78 SMN1; SMN2 (0.36) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL2015542 0.78 ACHE (0.39) ACHENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6852286 0.78 KMT2A (0.43) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15638350 0.78 ALDH1A1 (0.39) TSHRACHENPC1RAB9ASMN1; SMN2
SCHEMBL6226779 0.78 NPC1 (0.39) TSHRACHENPC1RAB9ASMN1; 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 WO disclosed
EP-2780326-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY Vivolux Ab (SE) 2014-09-24 EP disclosed
WO-2013058691-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2013-04-25 WO disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20070213374-A1 Malonamide Derivatives MERCK PATENT GMBH (DE) 2007-09-13 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 WO disclosed
US-5155534-A Apparatus for forming and developing latent electrostatic images with liquid developer and release agent RICOH COMPANY, LTD. (JP) 1992-10-13 US disclosed
US-4355159-A Nickel complex pigments of azines CIBA-GEIGY CORPORATION (US) 1982-10-19 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 (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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 TSHR 696/4885ACHE 423/4885NPC1 151/4885
US-20070213374-A1 Malonamide Derivatives RAF1, BRAF, ARAF TSHR 3370/4885ACHE 4071/4885NPC1 3784/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 TSHR 529/4885ACHE 1044/4885NPC1 1512/4885

“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.