SCHEMBL4199780

SCHEMBL4199780

O=C(NC1CCNCC1)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKAA2 P54646 2/20 0.42
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 10/20 0.39
CNR2 P34972 10/20 0.39
FAAH O00519 2/20 0.39
SLC6A12 P48065 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MCHR1 Q99705 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
NR4A2 P43354 1/20 0.38
KCNH2 Q12809 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
SCHEMBL4049646 0.79 LMNA (0.49) MEN1KMT2APOLBTHRBCNR1
SCHEMBL4197815 0.78 MEN1 (0.40) MEN1KMT2APOLBTHRBMCHR1
SCHEMBL4198902 0.78 MEN1 (0.62) MEN1KMT2APOLBTHRBTP53
SCHEMBL4218950 0.77 MEN1 (0.61) MEN1KMT2APOLBTHRBTP53
SCHEMBL13947766 0.77 MEN1 (0.46) MEN1KMT2APOLBTHRBMCHR1
SCHEMBL4046865 0.76 CD274 (0.49) MEN1KMT2APOLBCNR2KCNH2
SCHEMBL4199063 0.76 MEN1 (0.47) MEN1KMT2APOLBTHRBKCNH2
SCHEMBL13947768 0.75 POLB (0.53) MEN1KMT2APOLBTHRBKCNH2
SCHEMBL4206283 0.74 MEN1 (0.45) MEN1KMT2APOLBTHRB
SCHEMBL4200773 0.73 MEN1 (0.55) 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 6 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-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 2181/4885PRKAA2 1479/4885

“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.