SCHEMBL2172173

SCHEMBL2172173

CC(C)C(O)C(CCCCOc1cccc(Cl)c1Cl)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 2/20 0.39
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPK1 P28482 1/20 0.34
ADA P00813 1/20 0.34

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
SCHEMBL2172544 0.83 MEN1 (0.51) KMT2AMEN1TDP1TSHRALDH1A1
SCHEMBL2170715 0.83 MAPK1 (0.44) KDM4EKMT2AMEN1TDP1TSHR
SCHEMBL2315369 0.79 MAPK1 (0.41) KMT2AMEN1TDP1CYP3A4CYP2C19
SCHEMBL3232890 0.78 MEN1 (0.44) KMT2AMEN1TDP1CYP3A4POLB
SCHEMBL2171130 0.78 KDM4E (0.36) KDM4EKMT2ATDP1TSHRALDH1A1
SCHEMBL3232475 0.78 MEN1 (0.41) KMT2AMEN1TDP1CYP3A4POLB
SCHEMBL3232870 0.77 SMN1; SMN2 (0.45) KDM4EKMT2ATSHRCYP1A2CYP3A4
SCHEMBL3237651 0.74 KMT2A (0.48) KMT2AMEN1TDP1TSHRALDH1A1
SCHEMBL3233026 0.74 MAPK1 (0.51) KDM4EKMT2AMEN1TDP1TSHR
SCHEMBL2159856 0.73 MEN1 (0.48) KDM4EKMT2AMEN1TDP1CYP3A4

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 3241/4885KMT2A 2641/4885MEN1 1673/4885

“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.