SCHEMBL19932173

SCHEMBL19932173

COc1c([N+](=O)[O-])cc(Br)c2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL19927402 0.97 TPMT (0.41) TPMTMAPTL3MBTL1POLBGRIN2D
SCHEMBL521580 0.88 GRIN2D (0.40) TPMTMAPTL3MBTL1POLBGRIN2D
SCHEMBL2295396 0.79 KDM4E (0.47) TPMTMAPTL3MBTL1POLBGRIN2D
SCHEMBL19927214 0.77 GPR35 (0.43) MAPTALDH1A1TDP1CYP1A2MEN1
SCHEMBL20900459 0.76 TPMT (0.40) TPMTMAPTL3MBTL1POLBGRIN2D
SCHEMBL6816267 0.76 GRIN2D (0.49) TPMTMAPTL3MBTL1POLBGRIN2D
SCHEMBL521419 0.76 HTT (0.43) MAPTL3MBTL1POLBALDH1A1HTT
SCHEMBL2061002 0.76 MAPT (0.36) TPMTMAPTL3MBTL1POLBGRIN2B
SCHEMBL2060829 0.76 LMNA (0.40) MAPTL3MBTL1POLBGRIN2BALDH1A1
SCHEMBL15326757 0.75 GRIN2D (0.46) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 TPMT 3645/4885MAPT 4432/4885L3MBTL1 2670/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 TPMT 3645/4885MAPT 4432/4885L3MBTL1 2670/4885

“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.