SCHEMBL4807723

SCHEMBL4807723

CCOC(=O)c1cc2c(ccn2Cc2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
OPRD1 P41143 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL2945382 0.91 MAOB (0.49) MAOBMAPTALDH1A1POLBHTT
SCHEMBL13778773 0.85 MAOB (0.51) MAOBPOLBHDAC3HDAC1HDAC2
SCHEMBL2943194 0.83 MAP3K5 (0.47) MAPTALDH1A1POLBKDM4EGABRA2
SCHEMBL1607636 0.81 HDAC6 (0.57) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL4171550 0.80 MAOB (0.53) MAOBMAPTALDH1A1HDAC3HDAC1
SCHEMBL2945150 0.78 PPARG (0.47) ALDH1A1GABRA2GABRB2PPARG
SCHEMBL16471709 0.77 CNR2 (0.47) MAPTALDH1A1POLBKDM4EGABRA2
SCHEMBL4808824 0.77 THRB (0.56) MAPTALDH1A1POLBHTTHDAC1
SCHEMBL15418023 0.76 MCL1 (0.45) MAPTALDH1A1POLBKDM4EGABRA2
SCHEMBL4801323 0.76 THRB (0.42) MAPTALDH1A1POLBHTTKDM4E

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 4 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
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP 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 (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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MAOB 979/4885MAPT 600/4885ALDH1A1 437/4885

“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.