SCHEMBL4203809

SCHEMBL4203809

Cn1c(=O)c2c(O)c(C(=O)NCc3ccc(F)cc3)nn2c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.47
PTGER4 P35408 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 2/20 0.45
THRB P10828 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
RCE1 Q9Y256 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4200653 0.87 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL4203022 0.80 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL13947741 0.78 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL823459 0.77 MEN1 (0.58) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL6017760 0.73 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL823586 0.72 MEN1 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL15199692 0.72 KMT2A (0.71) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL1150195 0.71 KCNE1 (0.56) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL1150428 0.71 LIPG (0.58) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7048893 0.70 KCNE1 (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US claimed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US claimed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP MEN1 4287/4885KMT2A 2181/4885SMN1; SMN2 4093/4885

“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.