SCHEMBL4903875

SCHEMBL4903875

COC(=O)[N+]1(Cc2ccc(F)cc2F)C=Nc2cnccc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
P2RX7 Q99572 3/20 0.33
MAOB P27338 1/20 0.33
GPR6 P46095 1/20 0.33
RIPK1 Q13546 1/20 0.32
ALPL P05186 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK1 P04629 1/20 0.32
HTT P42858 1/20 0.32
PIK3C3 Q8NEB9 3/20 0.32
MAPK14 Q16539 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL29836179 0.61 SMN1; SMN2 (0.48) GSK3BP2RX7MAOBRIPK1
SCHEMBL3967997 0.61 SMN1; SMN2 (0.48) GSK3BP2RX7MAOBRIPK1
SCHEMBL20609634 0.59 MAOB (0.49) GSK3BMAOBRIPK1HTT
SCHEMBL10585341 0.58 DPP4 (0.46) GSK3BMAOB
SCHEMBL6327566 0.58 DPP4 (0.46) GSK3BMAOB
SCHEMBL1613106 0.58 DPP4 (0.46) GSK3BMAOB
SCHEMBL4251045 0.58 L3MBTL1 (0.53) GSK3BALPLL3MBTL1HTT
SCHEMBL1699443 0.58 MAOB (0.51) P2RX7MAOBRIPK1
SCHEMBL15735500 0.58 IDO1 (0.46) GSK3BP2RX7MAOBRIPK1
SCHEMBL27959396 0.58 IDO1 (0.46) GSK3BP2RX7MAOBRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB GSK3B 238/4885P2RX7 4306/4885MAOB 519/4885

“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.