SCHEMBL3100405

SCHEMBL3100405

NC(=O)c1ncccc1-c1cc2ccccc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
PLAU P00749 1/20 0.40
PARP1 P09874 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
BTK Q06187 1/20 0.39
EIF4E P06730 1/20 0.39
PDPK1 O15530 1/20 0.39
RAB9A P51151 1/20 0.38
MIF P14174 1/20 0.37
ABL1 P00519 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
GRM5 P41594 1/20 0.36

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
SCHEMBL6178938 0.80 NPC1 (0.54) NPC1PLAUPARP1L3MBTL1KDM4E
SCHEMBL9384191 0.78 GRM5 (0.48) NPC1L3MBTL1KDM4ECYP1A2BTK
SCHEMBL4560363 0.77 MKNK1 (0.50) PARP1L3MBTL1KDM4ECYP1A2EIF4E
SCHEMBL6616895 0.77 PARP1 (0.50) NPC1PLAUPARP1KDM4ECYP1A2
SCHEMBL31651965 0.76 MKNK1 (0.42) PARP1L3MBTL1KDM4EEIF4EIRAK4
SCHEMBL28271036 0.75 NPC1 (0.74) NPC1PLAUL3MBTL1KDM4ECYP1A2
SCHEMBL4675603 0.75 RAB9A (0.40) PLAUL3MBTL1EIF4ERAB9AMKNK1
SCHEMBL30100563 0.75 EIF4E (0.44) PARP1L3MBTL1KDM4ECYP1A2EIF4E
SCHEMBL935555 0.74 CYP2A6 (0.49) NPC1RAB9AMKNK2
SCHEMBL946785 0.74 F7 (0.47) BTKEIF4EIRAK4MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211533-B2 Organic metal complex and process for preparing amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-12-15 US disclosed
EP-2228377-B1 Novel organometallic complex and process for preparing amine compound KANTO KAGAKU (JP) 2014-07-30 EP disclosed
US-20130338359-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-12-19 US disclosed
US-8481735-B2 Organic metal complex and process for preparing amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-07-09 US disclosed
US-20100234596-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2228377-A1 Novel organometallic complex and process for preparing amine compound Kanto Kagaku Kabushiki Kaisha (JP) 2010-09-15 EP 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-20130338359-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND ODC1, AOC2, AOC1 NPC1 2829/4885PLAU 3881/4885PARP1 1830/4885
US-20100234596-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND ODC1, AOC2, AOC1 NPC1 2829/4885PLAU 3881/4885PARP1 1830/4885

“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.