SCHEMBL5734192

SCHEMBL5734192

CC(=O)OCCc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
CTSV O60911 4/20 0.43
CTSL P07711 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RAD52 P43351 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39

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
SCHEMBL5732897 0.84 POLB (0.46) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL5736091 0.82 RAD52 (0.46) ALDH1A1RAD52MAPTNPC1MAPK1
SCHEMBL5732588 0.80 MEN1 (0.43) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL5760938 0.79 RAD52 (0.48) MEN1KMT2AALDH1A1RAD52MAPT
SCHEMBL6180186 0.79 RAD52 (0.48) MEN1KMT2AALDH1A1RAD52POLB
SCHEMBL5733610 0.79 POLB (0.47) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL16878790 0.74 POLB (0.49) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL8316270 0.72 MEN1 (0.55) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL18347733 0.72 CYP19A1 (0.47) CYP19A1CTSVCTSLMEN1KMT2A
SCHEMBL6183967 0.72 RAD52 (0.41) KMT2AALDH1A1RAD52POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
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
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP 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
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO 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 CYP19A1 4765/4885CTSV 3838/4885CTSL 2773/4885

“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.