SCHEMBL6740559

SCHEMBL6740559

O=C(O)n1c(Cl)nc2cc(F)c(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2D6 P10635 5/20 0.37
CYP2C9 P11712 5/20 0.37
KCNH2 Q12809 4/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP11B2 P19099 4/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 2/20 0.33

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
SCHEMBL6738861 0.82 GAA (0.43) KDM4ELMNAPOLBMAPTRAB9A
SCHEMBL6739160 0.77 MAP4K1 (0.37) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL6737392 0.73 CDK9 (0.35) CYP2C9HTTKDM4ELMNAPOLB
SCHEMBL6742556 0.73 PKM (0.48) KDM4ELMNAMAPK1
SCHEMBL9980836 0.71 ALOX15 (0.58) CYP3A4KCNH2ALOX15HTTCYP11B2
SCHEMBL6739003 0.70 GAA (0.37) CYP3A4CYP2C9HTT
SCHEMBL31450450 0.64 GGPS1 (0.45) CYP2C9KCNH2HTTLMNARAB9A
SCHEMBL5121081 0.62 KDM4E (0.37) KDM4E
SCHEMBL18805374 0.61 ALOX15 (0.46) CYP3A4ALOX15HTTCYP11B2KDM4E
SCHEMBL3785846 0.60 PIK3CD (0.45) CYP3A4ALOX15HTTCYP11B2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes PFIZER INC. 2004-03-25 US disclosed
US-6686357-B1 BENZIMIDAZOLO-PIPERIDINE COMPOUND PFIZER, INC. 2004-02-03 US disclosed
US-6509464-B1 1-Heteroaryl-pyrrolidine, piperidine, or homopiperidine derivates; nervous system disorder treatment; amidation PFIZER INC 2003-01-21 US disclosed
US-6495549-B1 1-HETEROARYL-PIPERIDINE DERIVATIVES; MODERATING NEURONAL DEGENERATION; PROMOTING NEURONAL REGENERATION AND OUTGROWTH; TREATOG NEUROLOGICAL DISORDERS ARISING FROM NEURODEGENERATIVE DISEASES OR OTHER DISORDERS INVOLVING NERVE DAMAGE PFIZER INC 2002-12-17 US disclosed
EP-1098894-B1 FKBP INHIBITORS PFIZER LTD (GB) 2002-10-02 EP disclosed
EP-1098894-A1 FKBP INHIBITORS Pfizer Limited (GB) 2001-05-16 EP disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 US disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 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-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes FKBP1A, FKBP4, FKBP1B NR1H4 1394/4885CYP3A4 295/4885CYP2D6 279/4885

“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.