SCHEMBL336343

SCHEMBL336343

Cc1cc(C=O)ncc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNJ1 P48048 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
CD44 P16070 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31

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
SCHEMBL24387499 0.83 CYP3A4 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19KCNJ1
SCHEMBL6628386 0.80 NOS3 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19KCNJ1
SCHEMBL29952328 0.80 NOS3 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19KCNJ1
SCHEMBL29210595 0.80 ALDH1A1 (0.38) KCNJ1ALDH1A1MEN1KMT2AS1PR4
SCHEMBL12301889 0.79 CD44 (0.32) ALDH1A1CD44S1PR4
SCHEMBL29955122 0.77 GRIA1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19KCNJ1
SCHEMBL31651981 0.76 GRIN2D (0.35) ALDH1A1MEN1MAPTKMT2AGRIN2D
SCHEMBL13724582 0.75 UHRF1 (0.54) CYP1A2CYP3A4KCNJ1ALDH1A1KDM4E
SCHEMBL8685644 0.75 ERN1 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19KCNJ1
SCHEMBL2035997 0.75 KCNJ1 (0.33) KCNJ1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB CYP1A2 80/4885CYP3A4 66/4885CYP2D6 52/4885

“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.