SCHEMBL4518149

SCHEMBL4518149

OC(c1ccccc1)c1nnnn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
HRH3 Q9Y5N1 3/20 0.56
HRH4 Q9H3N8 1/20 0.56
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 3/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SLC1A3 P43003 4/20 0.50
SLC1A2 P43004 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC1A1 P43005 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
SLC6A4 P31645 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL4408776 0.79 ALDH1A1 (0.60) MAPK1HRH3HRH4SLC1A3SLC1A2
SCHEMBL10969069 0.78 ALDH1A1 (0.59) MAPK1HRH3HRH4SLC1A3SLC1A2
SCHEMBL4522517 0.75 HRH3 (0.51) MAPK1HRH3HRH4SLC1A2ALDH1A1
SCHEMBL27333607 0.73 LMNA (0.57) MAPK1ALDH1A1TSHRPKMLMNA
SCHEMBL18387989 0.73 ALDH1A1 (0.57) MAPK1HRH3HRH4SLC1A3SLC1A2
SCHEMBL29761986 0.72 SLC1A2 (0.89) MAPK1HRH3HRH4SLC1A3SLC1A2
SCHEMBL14605917 0.71 ALDH1A1 (0.55) MAPK1HRH3HRH4HDAC1HDAC6
SCHEMBL4408444 0.71 LMNA (0.59) MAPK1ALDH1A1TSHRLMNA
SCHEMBL2163180 0.71 LMNA (0.59) ALDH1A1TSHRKDM4ELMNA
SCHEMBL96820 0.70 ALDH1A1 (0.57) MAPK1HDAC1HDAC6ALDH1A1TSHR

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-20090306397-A1 Method for the production of substituted azoles LANXESS DEUTSCHLAND GMBH (DE) 2009-12-10 US disclosed
EP-1891025-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AZOLES Lanxess Deutschland GmbH (DE) 2008-02-27 EP disclosed
WO-2006131228-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AZOLES LANXESS DEUTSCHLAND GMBH (DE) 2006-12-14 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-20090306397-A1 Method for the production of substituted azoles CYP11B1, CYP11B2, CYP4F11 MAPK1 1799/4885HRH3 926/4885HRH4 1286/4885

“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.