SCHEMBL6183967

SCHEMBL6183967

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 2/20 0.34
BCL2 P10415 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 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
SCHEMBL6179762 0.83 RAD52 (0.44) RAD52SMN1; SMN2MAPTNPSR1NPC1
SCHEMBL27542915 0.82 LMNA (0.41) SMN1; SMN2MAPTALDH1A1GALR2MITF
SCHEMBL6239280 0.77 NPC1 (0.45) MAPTLMNAPOLBHPGDNPC1
SCHEMBL6180186 0.77 RAD52 (0.48) RAD52MAPTALDH1A1LMNAPOLB
SCHEMBL5760938 0.77 RAD52 (0.48) RAD52MAPTALDH1A1LMNANPSR1
SCHEMBL6671791 0.75 AKR1C4 (0.49) SMN1; SMN2ALDH1A1NPSR1NPC1RAB9A
SCHEMBL5735284 0.74 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL5735296 0.74 RAD52 (0.42) RAD52SMN1; SMN2MAPTALDH1A1MITF
SCHEMBL6180221 0.73 RAB9A (0.47) SMN1; SMN2MAPTALDH1A1MITFLMNA
SCHEMBL1733957 0.72 PDK1 (0.58) SMN1; SMN2MAPTALDH1A1NPSR1NPC1

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 50/4885SMN1; SMN2 4149/4885MAPT 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.