SCHEMBL1090344

SCHEMBL1090344

Nc1ccc2cc(C(=O)O)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.59
GPR35 Q9HC97 3/20 0.55
CA2 P00918 1/20 0.50
CHRNA7 P36544 2/20 0.48
TBXAS1 P24557 1/20 0.46
HTR3A P46098 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 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
SCHEMBL3342502 0.85 BCL2L1 (0.59) BCL2L1GPR35CHRNA7TBXAS1MEN1
SCHEMBL999671 0.83 HDAC1 (0.56) BCL2L1CA2CHRNA7HTR3AMEN1
SCHEMBL7785404 0.82 BCL2L1 (0.83) BCL2L1GPR35CA2HDAC1HDAC3
SCHEMBL5525703 0.82 HDAC1 (0.66) CHRNA7HTR3AHDAC1HDAC3HDAC4
SCHEMBL8250577 0.79 BCL2L1 (0.61) BCL2L1GPR35CA2TBXAS1MAPT
SCHEMBL15697571 0.79 GPR35 (0.61) BCL2L1GPR35CA2TBXAS1HDAC1
SCHEMBL13709631 0.78 F9 (0.49) CA2CHRNA7HTR3AMAPTHDAC6
SCHEMBL156320 0.78 BCL2L1 (0.59) BCL2L1GPR35CHRNA7TBXAS1MCL1
SCHEMBL20614435 0.78 BCL2L1 (0.59) BCL2L1GPR35TBXAS1HDAC1HDAC3
SCHEMBL20614582 0.78 BCL2L1 (0.59) BCL2L1GPR35TBXAS1HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574986-B 6-aminobenzo [ b ] thiophene-2-carboxylic acid derivative and application thereof in anti-epilepsy aspect 聊城大学 2020-10-27 CN claimed
JP-4511835-B2 2010-07-28 JP claimed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US claimed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 EP claimed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2003-05-08 WO claimed
CN-109574986-B 6-aminobenzo [ b ] thiophene-2-carboxylic acid derivative and application thereof in anti-epilepsy aspect 聊城大学 2020-10-27 CN disclosed
CN-109574986-B 6-aminobenzo [ b ] thiophene-2-carboxylic acid derivative and application thereof in anti-epilepsy aspect 聊城大学 2020-10-27 CN disclosed
CN-109574986-B 6-aminobenzo [ b ] thiophene-2-carboxylic acid derivative and application thereof in anti-epilepsy aspect 聊城大学 2020-10-27 CN disclosed
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-02-05 US disclosed
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
US-20060106096-A1 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER HEALTH AG (DE) 2006-05-18 US disclosed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 US disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US disclosed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2003-05-08 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 (5 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-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 BCL2L1 2385/4885GPR35 141/4885CA2 1496/4885
US-20060106096-A1 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists CHRNA7, CHRNA5, CHRNA4 BCL2L1 2402/4885GPR35 146/4885CA2 1306/4885
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 BCL2L1 3373/4885GPR35 276/4885CA2 1602/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 BCL2L1 2632/4885GPR35 674/4885CA2 471/4885
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists CHRNA7, CHRNA5, CHRNA4 BCL2L1 2385/4885GPR35 141/4885CA2 1496/4885

“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.