SCHEMBL2171130

SCHEMBL2171130

CC(C)C(O)C(CCCCOc1cccc(Cl)c1Cl)n1nc[nH]c1=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
DHFR P00374 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
JAK2 O60674 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
SCHEMBL2171989 0.84 GAA (0.44) HTTALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL2172805 0.80 TTR (0.31)
SCHEMBL2172173 0.78 KDM4E (0.52) KDM4EHTTDHFRALDH1A1TP53
SCHEMBL12336850 0.70 HSP90AB1 (0.34)
SCHEMBL2170715 0.61 MAPK1 (0.44) KDM4ETSHRTDP1KMT2AL3MBTL1
SCHEMBL2172544 0.61 MEN1 (0.51) ALDH1A1TSHRTDP1SMN1; SMN2GAA
SCHEMBL8955424 0.61 TDP1 (0.67) KDM4EHTTDHFRALDH1A1TP53
SCHEMBL27904038 0.61 TDP1 (0.67) KDM4EHTTDHFRALDH1A1TP53
SCHEMBL1282998 0.61 L3MBTL1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL12968474 0.60 CYP1A2 (0.57) KDM4EHTTDHFRALDH1A1TP53

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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-08-04 US disclosed
EP-2346839-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040717-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2010-04-15 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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them ABAT, OAT, TYR KDM4E 3241/4885HTT 1969/4885DHFR 277/4885

“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.