SCHEMBL3107334

SCHEMBL3107334

CCOC(=O)COc1nc(Nc2cc(OCc3c(OC)ccc(F)c3F)c(OC)cc2Cl)c([N+](=O)[O-])c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDR P35968 5/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
EGFR P00533 8/20 0.33
BUB1 O43683 2/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL3109489 0.92 NPC1 (0.38) NPC1RAB9AKDRPOLBMAPT
SCHEMBL3099996 0.86 KDR (0.35) NPC1RAB9AKDRPOLBMAPT
SCHEMBL3105309 0.85 EGFR (0.37) KDRMAPTEGFR
SCHEMBL3094226 0.82 KMT2A (0.36) KDRPOLBMAPTEGFR
SCHEMBL3104083 0.82 NPC1 (0.35) NPC1RAB9AKDRMAPTCNR2
SCHEMBL3094177 0.82 NPC1 (0.39) NPC1RAB9AKDRPOLBMAPT
SCHEMBL3116232 0.81 NPC1 (0.36) NPC1RAB9AKDRPOLBMAPT
SCHEMBL3110725 0.81 ERBB2 (0.41) KDREGFR
SCHEMBL3105115 0.77 ERBB2 (0.42) KDREGFR
SCHEMBL3110352 0.77 BUB1 (0.42) KDRTSHRMAPTEGFRBUB1

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 3777/4885KDR 2364/4885

“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.