SCHEMBL6152914

SCHEMBL6152914

CC(C)C(O)c1c(C(F)(F)F)ccnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.36
CYP17A1 P05093 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX7 Q99572 1/20 0.33
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
KMO O15229 1/20 0.31
NNMT P40261 1/20 0.30
ADRB2 P07550 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM5A P29375 1/20 0.30

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
SCHEMBL8324406 0.84 KMO (0.33) AKR1C3AKR1C2KMO
SCHEMBL875750 0.79 KDM5A (0.33) KDM5A
SCHEMBL8548569 0.75 ACP3 (0.36) CYP2C19P2RX7KMO
SCHEMBL8328817 0.74
SCHEMBL5030111 0.71 PIK3CD (0.34) CYP2C19P2RX7KMO
SCHEMBL9027404 0.70 P2RX7 (0.31) P2RX7KMO
SCHEMBL364870 0.70 P2RX7 (0.36) P2RX7KMO
SCHEMBL4595530 0.70 ULK1 (0.34) P2RX7AKR1C3AKR1C2
SCHEMBL29460067 0.69 PIK3CD (0.35) KMOADRB2
SCHEMBL1961605 0.69 PIK3CD (0.35) KMOADRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-10-27 US disclosed
EP-1500650-A1 PYRIDINE COMPOUNDS OR SALTS THEREOF AND HERBICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-01-26 EP 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-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same CBR3, CYP2C8, ABCC8 PDE2A 2642/4885CYP17A1 919/4885CYP2C9 350/4885

“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.