SCHEMBL3109489

SCHEMBL3109489

CCOC(=O)COc1cc(Cl)c(Nc2nc(C)nc(OC)c2[N+](=O)[O-])cc1OCc1c(OC)ccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDR P35968 2/20 0.34
POLB P06746 1/20 0.33
BUB1 O43683 2/20 0.33
EGFR P00533 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RECQL P46063 1/20 0.33
IGF1R P08069 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3107334 0.92 NPC1 (0.36) NPC1RAB9AMAPTKDRPOLB
SCHEMBL3094177 0.88 NPC1 (0.39) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3116232 0.88 NPC1 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3099996 0.86 KDR (0.35) NPC1RAB9AMAPTKDRPOLB
SCHEMBL3105309 0.84 EGFR (0.37) MAPTKDREGFR
SCHEMBL3104083 0.84 NPC1 (0.35) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3094226 0.81 KMT2A (0.36) MAPTMEN1KMT2AKDRPOLB
SCHEMBL3110725 0.80 ERBB2 (0.41) KDREGFR
SCHEMBL3110816 0.79 LMNA (0.35) NPC1RAB9AKMT2AKDRBUB1
SCHEMBL3105115 0.76 ERBB2 (0.42) KDREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 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 (1 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR NPC1 3052/4885RAB9A 3777/4885MAPT 4731/4885

“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.