SCHEMBL5470951

SCHEMBL5470951

O=C(O)Cc1ccc2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.51
▸ AKR1B1 P15121 2/20 0.46
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ GCG P01275 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ AGBL2 Q5U5Z8 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MCHR1 Q99705 3/20 0.39

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
SCHEMBL14597730 0.83 BACE1 (0.47) BACE1CSNK1DKDM4EMEN1KMT2A
SCHEMBL5466721 0.81 BACE1 (0.57) BACE1KDM4EMCHR1HRH3
SCHEMBL5473781 0.78 BACE1 (0.54) BACE1KDM4EMCHR1HRH3DYRK1A
SCHEMBL5479064 0.78 BACE1 (0.57) BACE1KDM4EMCHR1HRH3
SCHEMBL6754978 0.78 BACE1 (0.57) BACE1KDM4EMCHR1HRH3
SCHEMBL6195698 0.78 BACE1 (0.57) BACE1KDM4EMCHR1HRH3
SCHEMBL14018671 0.78 BACE1 (0.57) BACE1KDM4EMCHR1HRH3DYRK1A
SCHEMBL5466370 0.77 BACE1 (0.47) BACE1GCGCSNK1DKDM4EMCHR1
SCHEMBL27559613 0.76 KDM4E (0.40) AKR1B1KDM4EMEN1KMT2A
SCHEMBL1285735 0.76 BACE1 (0.56) BACE1KDM4EPIM1PIM2

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-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 — — US disclosed
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 — — US disclosed
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 — — US 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-20070004774-A1 Cept inhibitors and metabolites thereof CETP, LCAT, MTTP BACE1 1346/4885AKR1B1 1209/4885PSEN1 2369/4885

“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.

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