SCHEMBL847512

SCHEMBL847512

Nc1cc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.59
ASIC3 Q9UHC3 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.59
MGLL Q99685 1/20 0.54
APP P05067 2/20 0.53
AGXT P21549 1/20 0.53
CA2 P00918 1/20 0.50
ADRB2 P07550 1/20 0.48
BACE1 P56817 1/20 0.48
BCL2L1 Q07817 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL30073160 1.00 CYP2A6 (0.59) CYP2A6ASIC3LOXL2MGLLAPP
Hydrochloric Acid SCHEMBL1098048 0.98 CYP2A6 (0.57) CYP2A6ASIC3LOXL2MGLLAPP
Methane SCHEMBL5917399 0.98 CYP2A6 (0.57) CYP2A6ASIC3LOXL2MGLLAPP
Trifluoroacetic Acid SCHEMBL30319507 0.82 BCL2L1 (0.50) CYP2A6ASIC3LOXL2MGLLAPP
SCHEMBL17934649 0.81 BACE1 (0.50) CYP2A6ASIC3LOXL2MGLLAPP
SCHEMBL5731135 0.75 CYP2A6 (0.58) CYP2A6ASIC3LOXL2MGLLAPP
SCHEMBL240588 0.75 CYP2A6 (1.00) CYP2A6ASIC3LOXL2MGLLAPP
SCHEMBL29732980 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLAPP
SCHEMBL845603 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLAPP
SCHEMBL13495923 0.73 BACE1 (0.57) APPCA2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118756140-A For CO2Laser direct drilling pretreatment additive, preparation method and application thereof 昆山市板明电子科技有限公司 2024-10-11 CN claimed
CN-115806559-A Benzothiazepine bridged ring compound and preparation method thereof 天津理工大学 2023-03-17 CN claimed
US-20200354374-A1 Chemical Entities, Pharmaceutical Formulations, and Methods for Treating Fibrosis Inspira, LLC 2020-11-12 US claimed
WO-2020227331-A1 CHEMICAL ENTITIES, PHARMACEUTICAL FORMULATIONS, AND METHODS FOR TREATING FIBROSIS Inspira, LLC (US) 2020-11-12 WO claimed
CN-109789386-A Carrier, electrode for fuel cell, membrane electrode assembly, and fuel cell comprising the same 可隆工业株式会社 2019-05-21 CN claimed
EP-2220698-B1 SUBSTRATE MANUFACTURING METHOD FOR SENSOR APPLICATIONS USING OPTICAL CHARACTERISTICS AND THE SUBSTRATE THEREFROM KOREA FOOD RES INST (KR) 2016-11-23 EP claimed
US-20130260159-A1 SUBSTRATE MANUFACTURING METHOD FOR SENSOR APPLICATIONS USING OPTICAL CHARACTERISTICS AND THE SUBSTRATE THEREFROM KOREA FOOD RESEARCH INSTITUTE (KR) 2013-10-03 US claimed
US-8414965-B2 Substrate manufacturing method for sensor applications using optical characteristics and the substrate therefrom KOREA FOOD RESEARCH INSTITUTE (KR) 2013-04-09 US claimed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP claimed
US-20100239464-A1 SUBSTRATE MANUFACTURING METHOD FOR SENSOR APPLICATIONS USING OPTICAL CHARACTERISTICS AND THE SUBSTRATE THEREFROM KOREA FOOD RESEARCH INSTITUTE (KR) 2010-09-23 US claimed
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US claimed
US-6776930-B2 POLYMER BONDED TO DYE EASTMAN KODAK COMPANY 2004-08-17 US claimed
US-20010023938-A1 Polymer bonded to dye ALLEN MAX (US) 2001-09-27 US claimed
US-6197223-B1 REACTING DIACIDIC MONOMER HAVING FORMULA H--A--H, COMPRISING 1 TO 100 MOLE % OF LIGHT-ABSORBING MONOMER HAVING A LIGHT ABSORPTION MAXIMUM BETWEEN 300 NM AND 1200 NM AND 99-0 MOLE % OF A NON-LIGHT ABSORBING MONOMER WITH ORGANIC COMPOUND EASTMAN CHEMICAL COMPANY 2001-03-06 US claimed
EP-1015420-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP claimed
EP-0948570-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1999-10-13 EP claimed
WO-1999012892-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO claimed
WO-1998023690-A9 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS 1998-09-17 WO claimed
WO-1998023690-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1998-06-04 WO claimed
CN-1083805-A 7-(replacement)-9-[(substituted glycyl) amido]-6-demethylation-6-deoxytetra cycline AMERICAN CYANAMID CO (US) 1994-03-16 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20200354374-A1 Chemical Entities, Pharmaceutical Formulations, and Methods for Treating Fibrosis CFTR, FIBP, ABCC1 CYP2A6 559/4885ASIC3 4310/4885LOXL2 420/4885

“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.