SCHEMBL1150858

SCHEMBL1150858

COC(=O)c1nc(C(C)(C)NC(=O)OCc2ccccc2)nc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RNASEH1 O60930 1/20 0.43
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CTSS P25774 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 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
SCHEMBL18196234 0.89 MEN1 (0.43) MEN1KMT2ARNASEH1ATMSMN1; SMN2
SCHEMBL1150836 0.86 LMNA (0.41) MEN1KMT2ARNASEH1ATMSMN1; SMN2
SCHEMBL13764553 0.83 MEN1 (0.39) MEN1KMT2AATMSMN1; SMN2CTSS
SCHEMBL13218179 0.83 MEN1 (0.43) MEN1KMT2AATMSMN1; SMN2CTSS
SCHEMBL5119942 0.81 LMNA (0.44) MEN1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL13218146 0.81 LMNA (0.45) MEN1KMT2AATMSMN1; SMN2CTSS
SCHEMBL6643550 0.80 SMN1; SMN2 (0.41) MEN1KMT2AATMSMN1; SMN2CTSS
SCHEMBL8267930 0.80 RNASEH1 (0.56) MEN1KMT2ARNASEH1SMN1; SMN2ERCC1
SCHEMBL5114465 0.79 MAOB (0.44) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL8266635 0.79 KCNE1 (0.43) MEN1KMT2ARNASEH1ATMSMN1; SMN2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012103105-A1 PROCESSES FOR PREPARING RALTEGRAVIR AND INTERMEDIATES IN THE PROCESSES ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2012-08-02 WO claimed
US-10259778-B2 Process for the preparation of raltegravir AUROBINDO PHARMA LTD (IN) 2019-04-16 US disclosed
US-20170334838-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RALTEGRAVIR AUROBINDO PHARMA LTD (IN) 2017-11-23 US disclosed
EP-2231621-B1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
EP-2231621-B1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
WO-2012103105-A1 PROCESSES FOR PREPARING RALTEGRAVIR AND INTERMEDIATES IN THE PROCESSES ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2012-08-02 WO disclosed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-20100280244-A1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES MERCK SHARP & DOHME LLC 2010-11-04 US disclosed
US-20100280244-A1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES MERCK SHARP & DOHME LLC 2010-11-04 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2006-11-16 US disclosed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 US disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP disclosed
EP-1441734-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO 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 (7 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-20170334838-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RALTEGRAVIR SAMHD1, CYP3A5, REN MEN1 3207/4885KMT2A 1258/4885RNASEH1 695/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI MEN1 4220/4885KMT2A 928/4885RNASEH1 219/4885
US-10259778-B2 Process for the preparation of raltegravir SAMHD1, CYP3A5, HPRT1 MEN1 3439/4885KMT2A 1558/4885RNASEH1 599/4885
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, ASS1, REV1 MEN1 4214/4885KMT2A 874/4885RNASEH1 355/4885
US-20100280244-A1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES ALKBH3, DTYMK, DUT MEN1 4694/4885KMT2A 477/4885RNASEH1 675/4885
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP MEN1 4445/4885KMT2A 914/4885RNASEH1 144/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 MEN1 4045/4885KMT2A 1069/4885RNASEH1 221/4885

“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.