SCHEMBL4802889

SCHEMBL4802889

COC(=O)c1cc2c(C=O)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 4/20 0.55
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GRM2 Q14416 2/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90B1 P14625 1/20 0.40

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
SCHEMBL4808461 0.87 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL4158936 0.85 HSP90AA1 (0.43) MAPTMEN1KMT2AGRM2HSP90AA1
SCHEMBL4166109 0.84 IDO1 (0.46) MAPTNPSR1KDM4ENPC1GAA
SCHEMBL4799336 0.84 MAPT (0.42) MAPTMEN1KMT2AGRM2HSP90AA1
SCHEMBL4806657 0.83 MEN1 (0.43) MAPTMEN1KMT2AHSP90AA1HSP90B1
SCHEMBL4162951 0.82 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4170178 0.82 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL4165398 0.82 HDAC1 (0.45) MAPTMEN1KMT2AGRM2HSP90AA1
SCHEMBL4800004 0.79 MEN1 (0.40) MAPTMEN1KMT2A
SCHEMBL4805646 0.79 THRB (0.41) MAPTRAB9AMEN1KMT2AHSP90AA1

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 ALDH1A1 1652/4885SMN1; SMN2 2557/4885HTT 3689/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP ALDH1A1 437/4885SMN1; SMN2 4080/4885HTT 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.