SCHEMBL4545475

SCHEMBL4545475

CCOC(=O)c1occ(Br)c(=O)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
MAOB P27338 2/20 0.43
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL754349 0.88 LMNA (0.50) LMNAGAAMAOBSMN1; SMN2THRA
SCHEMBL15934472 0.87 MAOB (0.53) LMNAGAAMAOBPPARGKMT2A
SCHEMBL4545481 0.86 MAOB (0.46) LMNAGAAMAOBPPARGKMT2A
SCHEMBL755776 0.85 THRA (0.47) LMNAGAAMAOBSMN1; SMN2THRA
SCHEMBL16638805 0.85 MAOB (0.45) LMNAGAAMAOBPPARGSMN1; SMN2
SCHEMBL17852726 0.84 MAOB (0.47) LMNAGAAMAOBPPARGKMT2A
SCHEMBL18854360 0.81 MAOB (0.50) LMNAGAAMAOBSMN1; SMN2KMT2A
SCHEMBL4545480 0.81 MAOB (0.45) LMNAGAAMAOBPPARGKMT2A
SCHEMBL19334690 0.81 MAOB (0.52) LMNAGAAMAOBKMT2ANPC1
SCHEMBL4549798 0.80 THRA (0.41) LMNAGAAMAOBSMN1; SMN2THRA

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-20120108564-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor JAPAN TOBACCO INC. (JP) 2012-05-03 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-20120108564-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor IMPDH1, IMPA1, DPYD LMNA 3305/4885GAA 2362/4885MAOB 1286/4885

“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.