SCHEMBL467328

SCHEMBL467328

[c]1ccccc1-c1ccon1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL3190484 0.85 MDM2 (0.32) MDM2NPC1RAB9AKDM4EMAPT
SCHEMBL3190491 0.72 MDM2 (0.42) MDM2NPC1RAB9AKDM4EMAPT
SCHEMBL5325267 0.72 PLCG2 (0.36) NPC1RAB9A
SCHEMBL5327340 0.72 NPC1 (0.35) MDM2NPC1RAB9AKDM4ECYP1A2
SCHEMBL3759300 0.71 MDM2 (0.31) MDM2NPC1RAB9AKDM4EMAPT
SCHEMBL69569 0.71
SCHEMBL3082762 0.69 NPC1 (0.42) MDM2NPC1RAB9AKDM4EMAPT
SCHEMBL115447 0.69 CYP3A4 (0.33)
SCHEMBL8064994 0.69 CYP1A2 (0.33) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL4059082 0.69 MDM2 (0.41) MDM2NPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US claimed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US claimed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP claimed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US claimed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 US claimed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO claimed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO claimed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO claimed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO claimed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP claimed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO claimed
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US claimed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP claimed
EP-0543238-B1 3-Isoxazolylphenyl-compounds, their preparation and application BASF AG (DE) 1997-06-04 EP claimed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO claimed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO claimed
US-5256666-A Pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US 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 (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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 MDM2 3742/4885NPC1 2748/4885RAB9A 2650/4885
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYP2A13, NR1I3, NR3C2 MDM2 3604/4885NPC1 721/4885RAB9A 4087/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA MDM2 1016/4885NPC1 4045/4885RAB9A 1177/4885

“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.