SCHEMBL1491245

SCHEMBL1491245

O=C(OCc1ccncc1)ON1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
CYP17A1 P05093 1/20 0.43
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.38
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIN2B Q13224 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
SCHEMBL142445 0.84 ALDH1A1 (0.47) KMT2ACCNE1CDK2GSK3BMEN1
SCHEMBL11323517 0.84 ALDH1A1 (0.47) KMT2ACCNE1CDK2GSK3BMEN1
SCHEMBL1279658 0.83 ALDH1A1 (0.46) KMT2ACCNE1CDK2GSK3BMEN1
SCHEMBL1491215 0.83 CYP19A1 (0.48) CYP19A1CYP17A1KMT2AKDM4EMEN1
SCHEMBL2208957 0.82 MGLL (0.44) KMT2AKDM4EPOLBMEN1MAPT
SCHEMBL5354116 0.82 NAAA (0.43) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL13065050 0.82 CCNE1 (0.36) KMT2ACCNE1CDK2GSK3BMEN1
SCHEMBL18274612 0.82 CCNE1 (0.36) KMT2ACCNE1CDK2GSK3BMEN1
SCHEMBL5357731 0.82 NAAA (0.43) KMT2APOLBCCNE1CDK2GSK3B
SCHEMBL1992162 0.82 MGLL (0.45) KMT2AKDM4EPOLBMEN1ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
EP-2491785-A1 Method and compositions for treating HIV infections Purdue Research Foundation (US) 2012-08-29 EP disclosed
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 US disclosed
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 US disclosed
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 US disclosed
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 US disclosed
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 US disclosed
WO-2008133734-A2 METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS PURDUE RESEARCH FOUNDATION (US) 2008-11-06 WO disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 US disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 US disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 US disclosed
WO-2003078438-A1 CARBAMATES AS HIV PROTEASE INHIBITORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-09-25 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 (3 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-20070082883-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP CYP19A1 2748/4885CYP17A1 2021/4885KMT2A 3671/4885
US-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP CYP19A1 2748/4885CYP17A1 2021/4885KMT2A 3671/4885
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS SERPINB1, HPN, PRSS1 CYP19A1 1779/4885CYP17A1 590/4885KMT2A 4212/4885

“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.