SCHEMBL4049646

SCHEMBL4049646

CCCCNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
TP53 P04637 5/20 0.41
CNR2 P34972 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.38
MCHR1 Q99705 1/20 0.38
KCNH2 Q12809 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL13947766 0.84 MEN1 (0.46) LMNAMEN1KMT2APOLBTHRB
SCHEMBL4046865 0.83 CD274 (0.49) LMNAMEN1KMT2APOLBCNR2
SCHEMBL4198902 0.82 MEN1 (0.62) LMNAMEN1KMT2APOLBTHRB
SCHEMBL4218950 0.81 MEN1 (0.61) LMNAMEN1KMT2APOLBTHRB
SCHEMBL4199780 0.79 MEN1 (0.43) MEN1KMT2APOLBTHRBTP53
SCHEMBL13947768 0.79 POLB (0.53) LMNAMEN1KMT2APOLBTHRB
SCHEMBL4199063 0.78 MEN1 (0.47) MEN1KMT2APOLBTHRBTP53
SCHEMBL4200773 0.76 MEN1 (0.55) LMNAMEN1KMT2APOLBTHRB
SCHEMBL4206283 0.75 MEN1 (0.45) MEN1KMT2APOLBTHRBSMN1; SMN2
SCHEMBL4197815 0.69 MEN1 (0.40) LMNAMEN1KMT2APOLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP claimed
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
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP claimed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 WO 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-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 LMNA 3087/4885MEN1 4287/4885KMT2A 2181/4885

“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.