SCHEMBL6180186

SCHEMBL6180186

CC(=O)OCCc1c([N+](=O)[O-])cc(N)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
LMNA P02545 2/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
CTSB P07858 1/20 0.36
STAT3 P40763 1/20 0.36
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL5760938 0.85 RAD52 (0.48) RAD52LMNAMAPTCTSBSTAT3
SCHEMBL5736262 0.80 HSP90AA1 (0.44) MAPTPOLBMAPK1CTSBKMT2A
SCHEMBL5734192 0.79 CYP19A1 (0.45) RAD52LMNAMAPTPOLBMAPK1
SCHEMBL6180073 0.78 MAPK1 (0.43) LMNAMAPTMAPK1KMT2AALDH1A1
SCHEMBL5733678 0.77 MAPK1 (0.46) LMNAMAPTMAPK1CTSBKMT2A
SCHEMBL6182480 0.77 MAPK1 (0.46) LMNAMAPTMAPK1CTSBKMT2A
SCHEMBL6183967 0.77 RAD52 (0.41) RAD52LMNAMAPTPOLBMAPK1
SCHEMBL6057727 0.75 MAPT (0.38) RAD52LMNAMAPTPOLBMAPK1
SCHEMBL5735296 0.75 RAD52 (0.42) RAD52LMNAMAPTL3MBTL1MAPK1
SCHEMBL7421292 0.74 MAOB (0.52) MAPTPOLBL3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 RAD52 50/4885LMNA 1231/4885MAPT 4757/4885

“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.