SCHEMBL898901

SCHEMBL898901

COc1ccc(C(O)c2cncn2-c2c(F)cccc2F)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 3/20 0.33
LCK P06239 3/20 0.33
EGFR P00533 1/20 0.33
TDO2 P48775 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
NR3C2 P08235 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 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
SCHEMBL899164 0.79 PTGES (0.32) MEN1KMT2APKMLCKEGFR
SCHEMBL898061 0.73 PDE2A (0.33) MEN1KMT2ALMNARAB9AHTR2A
SCHEMBL899373 0.73 CRHR1 (0.35) MEN1KMT2ALMNARAB9AHTR2A
SCHEMBL898800 0.72 PTGES (0.34) MEN1KMT2ALCKEGFRLMNA
SCHEMBL174146 0.69 MEN1 (0.33) MEN1KMT2AIDO1TDO2LMNA
SCHEMBL173710 0.69 MEN1 (0.35) MEN1KMT2AIDO1TDO2LMNA
SCHEMBL174422 0.69 MEN1 (0.37) MEN1KMT2ALMNA
SCHEMBL176222 0.68 MEN1 (0.33) MEN1KMT2AIDO1TDO2LMNA
SCHEMBL27905455 0.67 PTGES (0.35) MEN1KMT2AIDO1LCKEGFR
SCHEMBL27905454 0.67 GABRA5 (0.33) IDO1LCKTDO2RAB9A

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
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 HSP90AA1 1870/4885HSP90AB1 1482/4885MEN1 1437/4885

“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.