SCHEMBL13106386

SCHEMBL13106386

CCc1nn(C)c2c(C)c(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC22A12 Q96S37 4/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ KHK P50053 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL25669810 0.83 GAA (0.42) GAAMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL13106381 0.80 GAA (0.40) GAAMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL13106356 0.78 ESR1 (0.43) MAPK8MAPK9MAPK10ALDH1A1MAPK1
SCHEMBL13106366 0.73 MAPK8 (0.36) GAAMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL13106438 0.71 MAPK8 (0.43) GAAMAPK8MAPK9MAPK10
SCHEMBL13106445 0.70 MAPK8 (0.42) GAAMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL13106383 0.70 MAT2A (0.33) MAT2A
SCHEMBL13106436 0.69 MAPK8 (0.36) GAAMAPK8MAPK9MAPK10HTR2A
SCHEMBL13106360 0.69 MAPK8 (0.36) GAAMAPK8MAPK9MAPK10CYP2C9
SCHEMBL23870234 0.68 PIM1 (0.34) GAAALDH1A1MAPK1L3MBTL1

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 GAA 55/4885MAPK8 3107/4885MAPK9 2234/4885

“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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