SCHEMBL2170715

SCHEMBL2170715

CC(C)C(O)C(CCCCOc1cccc(F)c1F)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
GRM2 Q14416 2/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP19A1 P11511 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL2315369 0.85 MAPK1 (0.41) MAPK1MEN1KMT2ATDP1CYP19A1
SCHEMBL3266419 0.85 MAPK1 (0.40) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL2172173 0.83 KDM4E (0.52) MAPK1MEN1KMT2AUSP2TSHR
SCHEMBL3237661 0.83 MAPK1 (0.40) MAPK1GRM2MEN1KMT2ACYP19A1
SCHEMBL3238214 0.83 MAPK1 (0.39) MAPK1GRM2
SCHEMBL3233026 0.82 MAPK1 (0.51) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL2161013 0.81 MAPK1 (0.52) MAPK1MEN1KMT2AUSP2TSHR
SCHEMBL3230953 0.78 MAPK1 (0.51) MAPK1MEN1KMT2AUSP2TSHR
SCHEMBL2170834 0.78 GRM2 (0.37) MAPK1GRM2TDP1L3MBTL1CXCR2
SCHEMBL3232870 0.77 SMN1; SMN2 (0.45) KMT2ATSHRHSD17B10L3MBTL1KDM4E

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 MAPK1 1624/4885GRM2 4587/4885MEN1 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.