SCHEMBL9402852

SCHEMBL9402852

CCCCc1ccnc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
UHRF1 Q96T88 1/20 0.45
KCNQ2 O43526 1/20 0.41
NFKB1 P19838 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
PSMB5 P28074 1/20 0.39

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
Bromide SCHEMBL5762760 0.98 SKP2 (0.46) SKP2NPC1MAPK1RAB9AHPGD
SCHEMBL21524074 0.92 TDP1 (0.44) UHRF1TP53TDP1L3MBTL1KDM4E
SCHEMBL28131466 0.92 TDP1 (0.44) UHRF1TP53TDP1L3MBTL1KDM4E
SCHEMBL4358691 0.90 UHRF1 (0.50) SKP2UHRF1KCNQ2GSK3AGSK3B
SCHEMBL487318 0.88 UHRF1 (0.48) UHRF1KCNQ2GSK3AGSK3BKDM4E
SCHEMBL4355540 0.85 UHRF1 (0.54) UHRF1KCNQ2GSK3AGSK3BNOS3
SCHEMBL28878368 0.85 TDP1 (0.39) TP53TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL14197630 0.83 SIGMAR1 (0.47) UHRF1KCNQ2GSK3AGSK3BKDM4E
SCHEMBL13573929 0.82 UHRF1 (0.43) SKP2UHRF1KCNQ2GSK3AGSK3B
SCHEMBL12288701 0.82 HRH1 (0.46) UHRF1KCNQ2GSK3AGSK3BNOS3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238433-A1 ANTI-CEACAM5/6 ANTIGEN-BINDING MOLECULES AND METHODS OF TREATMENT THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-07-18 US disclosed
EP-2793311-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND Fujifilm Corporation (JP) 2014-10-22 EP disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-5292700-A Polymerization catalyst SHELL OIL COMPANY (US) 1994-03-08 US disclosed
US-5218084-A POLYMERIZATION OF CARBON MONOXIDE/PROPYLENE WITH AROMATIC AMINE SHELL OIL COMPANY (US) 1993-06-08 US disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4725373-A CORROSION RESISTANCE FOR METAL TOOLS AND EQUIPMENT USED IN OIL AND GAS WELLS THE DOW CHEMICAL COMPANY (US) 1988-02-16 US disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 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 (6 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 SKP2 2735/4885NPC1 682/4885MAPK1 4363/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 SKP2 2735/4885NPC1 682/4885MAPK1 4363/4885
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 SKP2 558/4885NPC1 3081/4885MAPK1 161/4885
US-20240238433-A1 ANTI-CEACAM5/6 ANTIGEN-BINDING MOLECULES AND METHODS OF TREATMENT THEREOF EPCAM, GP6, SELPLG SKP2 3902/4885NPC1 1890/4885MAPK1 3942/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 SKP2 2684/4885NPC1 847/4885MAPK1 4422/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 SKP2 2735/4885NPC1 682/4885MAPK1 4363/4885

“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.