SCHEMBL5087401

SCHEMBL5087401

CCOC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.65
MMP2 P08253 3/20 0.57
RAB9A P51151 7/20 0.54
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 6/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
RXFP1 Q9HBX9 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MMP14 P50281 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL656156 0.89 KDM4E (0.67) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL28082015 0.86 MAOA (0.59) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL5087407 0.85 LEF1 (0.55) MMP13RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL28081963 0.84 NPC1 (0.60) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL5889575 0.84 MMP13 (0.72) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL8205173 0.84 MMP13 (0.72) MMP13MMP2RAB9AKDM4EALDH1A1
SCHEMBL931628 0.83 NHERF1 (0.52) RAB9ASMN1; SMN2NPC1LMNARXFP1
SCHEMBL14527880 0.83 PYGL (0.48) MMP13RAB9AKDM4EALDH1A1NPC1
SCHEMBL23258395 0.82 MEN1 (0.57) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL24601450 0.81 MMP13 (0.72) MMP13MMP2RAB9AKDM4EALDH1A1

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-7329760-B2 CC-1065 analog synthesis IMMUNOGEN INC. (US) 2008-02-12 US disclosed
EP-1492766-B1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2007-05-02 EP disclosed
EP-1492766-A4 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2005-12-14 EP disclosed
EP-1492766-A1 IMPROVED CC-1065 ANALOG SYNTHESIS Immunogen, Inc. (US) 2005-01-05 EP disclosed
WO-2003087055-A1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN, INC. (US) 2003-10-23 WO disclosed
US-20030195365-A1 CC-1065 analog synthesis IMMUNOGEN INC. 2003-10-16 US disclosed
US-6586618-B1 Amination 1,3-dihydoxynaphthalene, then blocking, iodination, alkylation, cyclization and deblocking to give (5-hydroxy-3-amino-1-(S)-(chloromethyl)-1,2-dihydro-3H-benz(e)indole), used as chemical intermediates of antitumor agents IMMUNOGEN INC. 2003-07-01 US disclosed
US-6534660-B1 Halogenation, alkylation and ring-closure of protected 2-amino-4-hydroxynaphthalene under suitable conditions to provide desired racemate, isolating (-) isomer, removing protecting groups IMMUNOGEN, INC. 2003-03-18 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 (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-20030195365-A1 CC-1065 analog synthesis DCUN1D5, DCUN1D1, DBN1 MMP13 4316/4885MMP2 4388/4885RAB9A 3608/4885

“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.