SCHEMBL4197815

SCHEMBL4197815

CN(C)C(=O)CN(C(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 3/20 0.36
TACR1 P25103 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 2/20 0.35
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
THRB P10828 1/20 0.33
MLNR O43193 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4199780 0.78 MEN1 (0.43) MEN1KMT2ATP53POLBMCHR1
SCHEMBL13947766 0.77 MEN1 (0.46) MEN1KMT2ATP53POLBMCHR1
SCHEMBL4198902 0.74 MEN1 (0.62) MEN1KMT2ATP53POLBKDM4E
SCHEMBL4218950 0.73 MEN1 (0.61) MEN1KMT2ATP53POLBKDM4E
SCHEMBL4199063 0.72 MEN1 (0.47) MEN1KMT2ATP53POLBKCNH2
SCHEMBL13947768 0.71 POLB (0.53) MEN1KMT2ATP53POLBKCNH2
SCHEMBL4206283 0.69 MEN1 (0.45) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL4049646 0.69 LMNA (0.49) MEN1KMT2ATP53POLBKDM4E
SCHEMBL4200773 0.68 MEN1 (0.55) MEN1KMT2ATP53POLBKDM4E
SCHEMBL4205588 0.67 TMEM97 (0.43) MEN1KMT2APOLBMCHR1ALDH1A1

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 5 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

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 2181/4885TP53 1121/4885

“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.