SCHEMBL333836

SCHEMBL333836

O=C(O)/C=C/c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ATM Q13315 1/20 0.60
HSP90AA1 P07900 2/20 0.59
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
TNKS O95271 1/20 0.54
HCAR2 Q8TDS4 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54

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
SCHEMBL29779566 1.00 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL333837 1.00 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
Ammonia Solution, Strong SCHEMBL28834704 0.98 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL5200839 0.98 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL1769092 0.98 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
Pyrrole SCHEMBL28128978 0.89 HSP90AA1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6784945 0.86 NPC1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30317323 0.85 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11999774 0.85 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11433821 0.84 HCAR2 (0.71) NPC1RAB9AMEN1KMT2AHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239885-A Synthesis method of cidamine 常州合全药业有限公司 2024-06-25 CN claimed
CN-112680216-B Fluorescent probe for ammonia detection and preparation method and application of test paper thereof 湖南超亟检测技术有限责任公司 2022-07-08 CN claimed
CN-112680216-A Novel fluorescent probe for ammonia detection and preparation method and application of test paper thereof 湖南超亟化学科技有限公司 2021-04-20 CN claimed
US-10297860-B2 Lithium secondary battery LG CHEM, LTD. (KR) 2019-05-21 US claimed
US-9882239-B2 Composition for gel polymer electrolyte and lithium secondary battery including the same LG CHEM, LTD. (KR) 2018-01-30 US claimed
EP-2431502-B1 CYANIDE-FREE SILVER ELECTROPLATING SOLUTIONS ROHM & HAAS ELECT MAT (US) 2017-05-24 EP claimed
EP-2782182-B1 LITHIUM SECONDARY BATTERY LG CHEMICAL LTD (KR) 2016-03-30 EP claimed
EP-2790260-B1 COMPOSITION FOR GEL POLYMER ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG CHEMICAL LTD (KR) 2016-03-23 EP claimed
EP-2790260-A1 COMPOSITION FOR GEL POLYMER ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG Chem, Ltd. (KR) 2014-10-15 EP claimed
EP-2782182-A1 LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2014-09-24 EP claimed
US-20140220452-A1 LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2014-08-07 US claimed
US-8608932-B2 Cyanide-free silver electroplating solutions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2013-12-17 US claimed
US-20120067735-A1 CYANIDE-FREE SILVER ELECTROPLATING SOLUTIONS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2012-03-22 US claimed
US-20070012575-A1 Bright rhodium electrodeposition TECHNIC, INC. 2007-01-18 US claimed
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US claimed
US-5995869-A Reduction of skin sensitization in electrotransport drug delivery ALZA CORPORATION (US) 1999-11-30 US claimed
US-5939268-A DIELS-ALDER REACTION PRODUCT OF A DIENE AND A DIENOPHILE; CHEMICAL INTERMEDIATES FOR DRUGS, SOLID PHASE SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1997047355-A1 REDUCTION OF SKIN SENSITIZATION IN ELECTROTRANSPORT DRUG DELIVERY ALZA CORPORATION (US) 1997-12-18 WO claimed
EP-0773953-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS INSTITUTE (US) 1997-05-21 EP claimed
WO-1996003424-A1 COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME THE SCRIPPS RESEARCH INSTITUTE (US) 1996-02-08 WO 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-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation HEXD, CDK5, CHUK NPC1 2615/4885RAB9A 3051/4885MEN1 1864/4885

“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.