SCHEMBL6640405

SCHEMBL6640405

O=[N+]([O-])c1ccc(Cl)c(CCl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.44
VCAM1 P19320 9/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HSD17B10 Q99714 1/20 0.38
FBP1 P09467 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL278504 0.85 TDP1 (0.62) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL6576203 0.83 TDP1 (0.60) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL4922982 0.83 TDP1 (0.60) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL6646572 0.83 TDP1 (0.60) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL5042301 0.80 TDP1 (0.56) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL31514206 0.80 TDP1 (0.56) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL5035521 0.79 TDP1 (0.55) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL278488 0.77 TDP1 (1.00) TDP1TSHRMAPK1ALDH1A1VCAM1
SCHEMBL29975243 0.77 ALDH1A1 (0.53) TDP1TSHRMAPK1ALDH1A1
SCHEMBL10756135 0.77 ALDH1A1 (0.53) TDP1TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059685-A1 PIEZO1 AGONISTS FOR THE PROMOTION OF BONE FORMATION BIOVENTURES, LLC 2024-02-22 US disclosed
WO-2021067943-A1 PIEZO1 AGONISTS FOR THE PROMOTION OF BONE FORMATION BIOVENTURES, LLC (US) 2021-04-08 WO disclosed
WO-2021067943-A1 PIEZO1 AGONISTS FOR THE PROMOTION OF BONE FORMATION BIOVENTURES, LLC (US) 2021-04-08 WO disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
EP-0605499-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES JANSSEN PHARMACEUTICA NV (BE) 1997-11-12 EP disclosed
US-5599982-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-04 US disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed
US-5463049-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-31 US disclosed
EP-0534539-A1 Process for preparing enantiomerically pure imidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP 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-20240059685-A1 PIEZO1 AGONISTS FOR THE PROMOTION OF BONE FORMATION PIEZO1, TMEM63A, SOST TDP1 3468/4885TSHR 613/4885MAPK1 1494/4885

“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.