SCHEMBL5732683

SCHEMBL5732683

Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.49
POLB P06746 1/20 0.48
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
MGMT P16455 1/20 0.43
PDE7A Q13946 1/20 0.43
CYP19A1 P11511 4/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
VCAM1 P19320 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2568216 0.87 PIN1 (0.52) PIN1POLBCTSVCTSLMEN1
SCHEMBL7121176 0.85 POLB (0.54) PIN1POLBCTSVCTSLMEN1
SCHEMBL1193049 0.84 PIN1 (0.49) PIN1POLBCTSVCTSLALDH1A1
SCHEMBL11419499 0.84 POLB (0.51) PIN1POLBCTSVCTSLMEN1
SCHEMBL3110737 0.83 MEN1 (0.53) PIN1POLBCTSVCTSLALDH1A1
SCHEMBL11546784 0.81 ALDH1A1 (0.56) PIN1ALDH1A1CYP3A4MAPTPDE7A
SCHEMBL11545830 0.81 ALDH1A1 (0.56) PIN1POLBALDH1A1CYP3A4MEN1
SCHEMBL8316270 0.81 MEN1 (0.55) PIN1POLBCTSVCTSLALDH1A1
SCHEMBL2145763 0.80 POLB (0.52) PIN1POLBCTSVCTSLMEN1
SCHEMBL11548779 0.80 ALDH1A1 (0.54) PIN1ALDH1A1CYP3A4KMT2AMAPT

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 7 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
US-6482953-B1 2-benzyloxy-4-nitro-5-substituted-acylanilide compounds and method of using them EASTMAN KODAK COMPANY 2002-11-19 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 PIN1 4493/4885POLB 262/4885CTSV 3838/4885

“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.