SCHEMBL12596382

SCHEMBL12596382

Cc1nnc(C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 3/20 0.56
GALR3 O60755 1/20 0.54
NR2F2 P24468 1/20 0.54
RAB9A P51151 1/20 0.54
CCNC P24863 4/20 0.51
CDK8 P49336 4/20 0.51
CLK1 P49759 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
PIK3C3 Q8NEB9 1/20 0.51
LATS2 Q9NRM7 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
CSNK1G3 Q9Y6M4 1/20 0.51
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL1770378 0.87 POLB (0.53) POLBKDM4EMAPTALDH1A1GALR3
SCHEMBL9504656 0.80 KDM4E (0.60) POLBKDM4EALDH1A1GSK3AGSK3B
Hydrochloric Acid SCHEMBL7585345 0.75 ALDH1A1 (0.59) POLBKDM4EMAPTALDH1A1GALR3
SCHEMBL15215745 0.72 ALDH1A1 (0.52) POLBKDM4EMAPTALDH1A1GALR3
SCHEMBL12596283 0.72 KCNH2 (0.61) POLBKDM4EMAPTGALR3NR2F2
SCHEMBL11719377 0.72 P2RX3 (0.54) POLBKDM4EMAPTALDH1A1SMN1; SMN2
Chlormidazole SCHEMBL148113 0.71 GALR3 (1.00) ALDH1A1GALR3NR2F2RAB9AGSK3B
Chlormidazole SCHEMBL30402878 0.71 GALR3 (1.00) ALDH1A1GALR3NR2F2RAB9AGSK3B
SCHEMBL12045850 0.70 P2RX3 (0.52) KDM4EALDH1A1GALR3NR2F2RAB9A
Chlormidazole SCHEMBL364033 0.70 GALR3 (0.97) MAPTALDH1A1GALR3NR2F2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 POLB 1401/4885KDM4E 1739/4885MAPT 4681/4885

“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.