SCHEMBL6544064

SCHEMBL6544064

CCCCc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
GAA P10253 1/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
GFER P55789 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PKM P14618 1/20 0.56
MMP2 P08253 2/20 0.56

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
SCHEMBL6754002 0.96 NPC1 (0.57) MPLNPC1RAB9AGAAHDAC6
SCHEMBL6759177 0.94 NPC1 (0.55) MPLNPC1RAB9AGAAHDAC6
SCHEMBL3334877 0.84 NPC1 (0.66) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL9295731 0.84 MPL (0.67) MPLNPC1RAB9AGAAHDAC6
SCHEMBL9295726 0.84 MPL (0.57) MPLNPC1RAB9AHDAC6HDAC3
SCHEMBL9095200 0.83 MPL (0.63) MPLNPC1RAB9AGAAHDAC6
SCHEMBL9095196 0.83 MPL (0.54) MPLNPC1RAB9AGAAHDAC6
SCHEMBL4702843 0.82 NPC1 (0.69) NPC1RAB9AGAAHDAC6KDM4E
SCHEMBL21976964 0.82 MPL (0.65) MPLNPC1RAB9AHDAC6HDAC3
SCHEMBL11453513 0.81 NPC1 (0.51) NPC1RAB9AHDAC6KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 US disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 US disclosed
US-20040171264-A1 Methods of polishing, interconnect-fabrication, and producing semiconductor devices RENESAS TECHNOLOGY CORPORATION 2004-09-02 US disclosed
US-6750128-B2 Methods of polishing, interconnect-fabrication, and producing semiconductor devices RENESAS TECHNOLOGY CORPORATION (JP) 2004-06-15 US disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed
US-20030186497-A1 Methods of polishing, interconnect-fabrication, and producing semiconductor devices HITACHI, LTD. 2003-10-02 US disclosed
US-6562719-B2 Methods of polishing, interconnect-fabrication, and producing semiconductor devices HITACHI, LTD. (JP) 2003-05-13 US disclosed
US-20020016073-A1 Methods of polishing, interconnect-fabrication, and producing semiconductor devices HITACHI, LTD. 2002-02-07 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 (2 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-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 MPL 2216/4885NPC1 4247/4885RAB9A 2943/4885
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 MPL 2421/4885NPC1 3836/4885RAB9A 3083/4885

“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.