SCHEMBL2835873

SCHEMBL2835873

O=C(O)C(Oc1ccccc1)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MTOR P42345 1/20 0.40
ADK P55263 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
FPR2 P25090 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL640541 0.88 CSNK1A1 (0.46) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL11551445 0.84 ADRA2A (0.44) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL24328262 0.77 KDM4E (0.41) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL24328261 0.77 KDM4E (0.41) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL10370479 0.76 KDM4E (0.50) ADRA2AADRA2BADRA2CMTORADK
SCHEMBL7854157 0.74 ADRA2A (0.36) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL11426972 0.74 ELANE (0.39) ADRA2AADRA2BADRA2CALDH1A1FPR2
SCHEMBL2840280 0.73 PPARG (0.52) PPARGPPARA
SCHEMBL11803829 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL2847954 0.72 ADRA2A (0.49) ADRA2AADRA2BADRA2CCSNK1A1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 ADRA2A 1834/4885ADRA2B 1903/4885ADRA2C 1808/4885

“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.