SCHEMBL826449

SCHEMBL826449

N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(N)c(F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.52
PDE7A Q13946 1/20 0.46
SLC22A12 Q96S37 3/20 0.42
PLA2G7 Q13093 1/20 0.41
ESRRA P11474 1/20 0.41
HSPB1 P04792 2/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
EYA2 O00167 1/20 0.40
ALDH1A1 P00352 2/20 0.39
XDH P47989 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29525543 0.81 LMNA (0.48) VCAM1PDE7ASLC22A12PLA2G7ESRRA
SCHEMBL826371 0.81 LMNA (0.48) VCAM1PDE7ASLC22A12PLA2G7ESRRA
SCHEMBL11096315 0.80 VCAM1 (0.60) VCAM1PDE7ASLC22A12PLA2G7ESRRA
SCHEMBL11094531 0.79 VCAM1 (0.62) VCAM1PDE7ASLC22A12PLA2G7ESRRA
SCHEMBL826009 0.78 VCAM1 (0.44) VCAM1SLC22A12PLA2G7LMNAHTT
SCHEMBL11092797 0.78 VCAM1 (0.64) VCAM1PDE7ASLC22A12PLA2G7ESRRA
SCHEMBL7025384 0.77 SLC22A12 (0.41) SLC22A12LMNASMN1; SMN2
SCHEMBL11096541 0.76 VCAM1 (0.57) VCAM1PDE7APLA2G7ESRRALMNA
SCHEMBL11092189 0.76 VCAM1 (0.57) VCAM1PDE7ASLC22A12PLA2G7ESRRA
SCHEMBL11088409 0.75 VCAM1 (0.60) VCAM1PDE7ASLC22A12PLA2G7ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358689-B9 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2016-08-03 EP disclosed
EP-2358689-B1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
US-8497274-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-30 US disclosed
US-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 US disclosed
US-8143258-B2 Benzothiazole compounds useful for Raf inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-27 US disclosed
CN-102300854-A Benzothiazole derivatives as anticancer agents 2011-12-28 CN disclosed
EP-2358689-A1 Benzothiazole derivatives as anticancer agents Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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 (2 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-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 VCAM1 4504/4885PDE7A 1340/4885SLC22A12 2803/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 VCAM1 4504/4885PDE7A 1340/4885SLC22A12 2803/4885

“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.