SCHEMBL13106166

SCHEMBL13106166

Cc1nn(C)c2cccc(C(F)(F)F)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HSD11B1 P28845 7/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ MAPK13 O15264 1/20 0.37
▸ EIF2AK2 P19525 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ RBP4 P02753 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 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
SCHEMBL16417281 0.84 MAPK13 (0.38) ALDH1A1GAANR3C1LMNAMAPT
SCHEMBL28159924 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK13EIF2AK2
SCHEMBL12536276 0.76 MAPK13 (0.42) ALDH1A1GAALMNAMAPTCYP1A2
SCHEMBL27965003 0.74 MAPT (0.42) ALDH1A1GAALMNAMAPTMAPK13
SCHEMBL5416602 0.74 ESR1 (0.50) ALDH1A1MAPTMAPK13EIF2AK2MAPK12
SCHEMBL31583268 0.73 MAPK13 (0.40) ALDH1A1LMNAMAPTMAPK13EIF2AK2
SCHEMBL16506029 0.73 MAPK13 (0.40) ALDH1A1LMNAMAPTMAPK13EIF2AK2
SCHEMBL13106161 0.73 NR3C1 (0.41) ALDH1A1GAANR3C1LMNAHSD11B1
SCHEMBL13202563 0.72 SSTR4 (0.44) ALDH1A1GAAHSD11B1MAPT
SCHEMBL13106169 0.72 HSD11B1 (0.41) ALDH1A1GAALMNAHSD11B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 ALDH1A1 2752/4885GAA 55/4885NR3C1 2972/4885

“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.

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