SCHEMBL5124506

SCHEMBL5124506

CS(=O)(=O)c1cc(F)ccc1CN

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 2/20 0.39
ADRA1D P25100 6/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
ADRA2A P08913 2/20 0.39
MPO P05164 2/20 0.39
KDM4E B2RXH2 1/20 0.37
CCR2 P41597 1/20 0.37
SLC6A4 P31645 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
ADRA2C P18825 1/20 0.36
DDR1 Q08345 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.35

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
Hydrochloric Acid SCHEMBL1017408 0.98 MAOA (0.40) MAOALOXL2LOXADRA1DADRA1A
SCHEMBL12997872 0.85 MPO (0.44) MAOALOXL2LOXADRA1DADRA1A
SCHEMBL13180014 0.85 KDM4E (0.42) ADRA1DADRA1AADRA1BADRA2AKDM4E
Hydrochloric Acid SCHEMBL1014749 0.84 MPO (0.43) MAOALOXL2LOXADRA1DADRA1A
SCHEMBL12215752 0.83 CA2 (0.42) MPOPTGS2PTGS1IDO1AGXT
Hydrochloric Acid SCHEMBL2528481 0.81 CA2 (0.41) MPOPTGS2PTGS1IDO1AGXT
SCHEMBL4012771 0.81 ADRA1D (0.39) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL12215748 0.81 SMN1; SMN2 (0.38) MPOKDM4EL3MBTL1
SCHEMBL1151006 0.81 KDM4E (0.41) LOXMPOKDM4ESLC6A4
SCHEMBL1512139 0.80 ADRA1D (0.40) ADRA1DADRA1AADRA1BADRA2AMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 US disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 EP disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
EP-1467970-A4 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2005-12-21 EP disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 US 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
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 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-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 MAOA 940/4885LOXL2 4566/4885LOX 4660/4885
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP MAOA 1973/4885LOXL2 4758/4885LOX 4212/4885
US-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 MAOA 1437/4885LOXL2 4536/4885LOX 3781/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MAOA 1899/4885LOXL2 4741/4885LOX 4082/4885

“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.