SCHEMBL4199063

SCHEMBL4199063

O=C(c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2)N1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 2/20 0.40
AKR1B1 P15121 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL4206283 0.91 MEN1 (0.45) MEN1KMT2APOLBTHRBRAB9A
SCHEMBL13947768 0.83 POLB (0.53) MEN1KMT2APOLBTHRBTP53
SCHEMBL4198902 0.83 MEN1 (0.62) MEN1KMT2APOLBTHRBTP53
SCHEMBL4218950 0.82 MEN1 (0.61) MEN1KMT2APOLBTHRBTP53
SCHEMBL4200773 0.81 MEN1 (0.55) MEN1KMT2APOLBTHRBTP53
SCHEMBL4049646 0.78 LMNA (0.49) MEN1KMT2APOLBTHRBTP53
SCHEMBL13947766 0.77 MEN1 (0.46) MEN1KMT2APOLBTHRBTP53
SCHEMBL4199780 0.76 MEN1 (0.43) MEN1KMT2APOLBTHRBTP53
SCHEMBL4046865 0.75 CD274 (0.49) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL4197815 0.72 MEN1 (0.40) MEN1KMT2APOLBTHRBTP53

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 MEN1 4287/4885KMT2A 2181/4885POLB 27/4885

“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.