SCHEMBL4808461

SCHEMBL4808461

COC(=O)c1cc2c(C=O)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FSCN1 Q16658 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AR P10275 1/20 0.38
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL4805906 0.90 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HTTLMNAMAPT
SCHEMBL4802889 0.87 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1HTTLMNAMAPT
SCHEMBL4811995 0.85 FSCN1 (0.39) MAPTFSCN1PDE10APTGDR2PPARG
SCHEMBL4802055 0.83 FSCN1 (0.38) FSCN1PDE10APTGDR2PPARG
SCHEMBL4804162 0.81 FSCN1 (0.40) FSCN1PDE10AMEN1KMT2APTGDR2
SCHEMBL4803688 0.81 FSCN1 (0.39) FSCN1PDE10AMEN1KMT2APTGDR2
SCHEMBL4806877 0.80 FSCN1 (0.39) ALDH1A1LMNAMAPTFSCN1KDM4E
SCHEMBL2952549 0.79 PPARG (0.50) PPARG
SCHEMBL2950674 0.79 PPARG (0.51) MAPTPPARG
SCHEMBL5258224 0.77 DDR1 (0.36) FSCN1PDE10APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
EP-1802619-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer, Inc. (US) 2007-07-04 EP disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
WO-2006027694-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2006-03-16 WO disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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 (2 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-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") AP1M1, AP1G1, AP3B1 SMN1; SMN2 2557/4885ALDH1A1 1652/4885HTT 3689/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP SMN1; SMN2 4080/4885ALDH1A1 437/4885HTT 4142/4885

“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.