SCHEMBL3116232

SCHEMBL3116232

CCOC(=O)C(C(=O)OCC)c1nc(C)nc(Nc2cc(OCc3c(OC)ccc(F)c3F)c(OCC(=O)OC)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.33
BUB1 O43683 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
KDR P35968 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGFR P00533 5/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IGF1R P08069 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
SCHEMBL3094177 0.89 NPC1 (0.39) NPC1RAB9APOLBMAPTHTT
SCHEMBL3109489 0.88 NPC1 (0.38) NPC1RAB9APOLBBUB1MAPT
SCHEMBL3099996 0.83 KDR (0.35) NPC1RAB9APOLBBUB1MAPT
SCHEMBL3107334 0.81 NPC1 (0.36) NPC1RAB9APOLBBUB1MAPT
SCHEMBL3110816 0.80 LMNA (0.35) NPC1RAB9ABUB1KDRKDM4E
SCHEMBL3105309 0.76 EGFR (0.37) MAPTKDREGFR
SCHEMBL3110725 0.75 ERBB2 (0.41) KDREGFR
SCHEMBL3116239 0.75 BUB1 (0.30) BUB1MAPT
SCHEMBL3105115 0.74 ERBB2 (0.42) KDREGFR
SCHEMBL3104083 0.73 NPC1 (0.35) NPC1RAB9AMAPTKDRMAPK1

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 3777/4885POLB 3618/4885

“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.