SCHEMBL1250

SCHEMBL1250

O=C(C#Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 2/20 0.71
NLRP3 Q96P20 1/20 0.71
GFER P55789 1/20 0.71
VCP P55072 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
PTPN11 Q06124 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49

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
Aniline SCHEMBL1444501 0.91 RAB9A (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30056471 0.88 RAB9A (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9260209 0.88 NPC1 (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28302925 0.88 MEN1 (0.66) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9263110 0.88 NPC1 (0.70) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9261114 0.88 MEN1 (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30056033 0.84 RAB9A (0.89) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28301495 0.84 RAB9A (1.00) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3599507 0.83 GFER (0.60) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4104247 0.82 MEN1 (0.58) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240442-B1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO LTD (KR) 2012-06-20 EP claimed
US-8124790-B2 Preparation process useful in synthesis of atorvastatin MEDICHEM KOREA CO., LTD. (KR) 2012-02-28 US claimed
US-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO., LTD. (KR) 2011-05-12 US claimed
CN-109796423-B Method for synthesizing 1, 3-thiazine-4-ketone under metal-free catalysis condition 温州大学 2022-11-11 CN disclosed
CN-110054597-B Thiazolidine-4-ketone derivative synthesized under condition of no metal catalyst and preparation method thereof 温州大学 2022-11-08 CN disclosed
CN-110066254-B Preparation method of isothiazole-3-ketone compound 温州大学 2021-03-19 CN disclosed
WO-2016122325-A1 METHODS FOR PROVIDING INTERMEDIATES IN THE SYNTHESIS OF ATORVASTATIN. RIJKSUNIVERSITEIT GRONINGEN (NL) 2016-08-04 WO disclosed
WO-2016122325-A1 METHODS FOR PROVIDING INTERMEDIATES IN THE SYNTHESIS OF ATORVASTATIN. RIJKSUNIVERSITEIT GRONINGEN (NL) 2016-08-04 WO disclosed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed
EP-1671947-A1 Process for preparing pyrrole derivatives and intermediates Ratiopharm GmbH (DE) 2006-06-21 EP disclosed
EP-0944581-A4 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES LILLY CO ELI (US) 2004-09-08 EP disclosed
US-6069247-A REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
US-5917038-A REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed
US-4681893-A Trans-6-[2-(3- or 4-carboxamido-substituted pyrrol-1-yl)alkyl]-4-hydroxypyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1987-07-21 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-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN HMGCR, DHCR7, LIPA NPC1 214/4885RAB9A 3427/4885MEN1 3574/4885
US-20140288127-A1 Novel Alkene Oxindole Derivatives PRKAB1, PRKAR2A, PRKAB2 NPC1 686/4885RAB9A 831/4885MEN1 3405/4885
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 NPC1 686/4885RAB9A 831/4885MEN1 3405/4885

“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.