SCHEMBL1493176

SCHEMBL1493176

[NH]CCCCNc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
MAPT P10636 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.48
PRSS1 P07477 7/20 0.44
F2 P00734 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KCNH3 Q9ULD8 2/20 0.41
ACHE P22303 1/20 0.39

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
SCHEMBL2377559 0.93 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1PRSS1F2
SCHEMBL4970157 0.88 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1PRSS1F2
SCHEMBL11759173 0.85 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1PRSS1F2
SCHEMBL4104788 0.85 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1PRSS1F2
SCHEMBL4643729 0.85 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1PRSS1F2
SCHEMBL14968385 0.85 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1PRSS1F2
SCHEMBL566062 0.83 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1
Bromide SCHEMBL28355691 0.83 ALDH1A1 (0.80) ALDH1A1MAPTL3MBTL1PRSS1F2
SCHEMBL2065279 0.83 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1PRSS1HDAC3
Hydrochloric Acid SCHEMBL3634998 0.80 ALDH1A1 (0.94) ALDH1A1MAPTL3MBTL1PRSS1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889115-B2 Fitness assay and associated methods BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-13 US disclosed
EP-1088098-B2 FITNESS ASSAY AND METHODS FOR REDUCING RESISTANCE OF HIV TO THERAPY US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2015-07-01 EP disclosed
US-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-01-09 US disclosed
US-8597876-B2 Method of treating HIV infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-12-03 US disclosed
US-8003627-B2 Urokinase inhibitors UNIVERSITEIT ANTWERPEN (BE) 2011-08-23 US disclosed
US-7981875-B2 Treating pancreatic cancer by administering cardenolide uscharin extracted from Calotropis procera plants UNIBIOSCREEN S.A. (BE) 2011-07-19 US disclosed
EP-2336134-A1 Fitness assay and methods for reducing resistance of HIV to therapy The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2011-06-22 EP disclosed
EP-1088098-B1 MEDICAMENT FOR TREATING HIV-INFECTED MAMMALS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2011-03-09 EP disclosed
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US disclosed
EP-2069356-A1 BISFURANYL PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2009-06-17 EP disclosed
EP-1458447-A2 COMBINATION OF CYTOCHOME P 450 DEPENDENT PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2004-09-22 EP disclosed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004055039-A1 STEROID COMPOUNDS WITH ANTI-TUMOR ACTIVITY UNIBIOSCREEN S.A. (BE) 2004-07-01 WO disclosed
WO-2004033465-A1 2' OXO-VORUSCHARIN AND DERIVATIVES THEREOF UNIBIOSCREEN S.A. (BE) 2004-04-22 WO disclosed
EP-1408043-A1 2''oxo-voruscharin and analogues thereof Unibioscreen S.A. (BE) 2004-04-14 EP disclosed
WO-2003049746-A2 COMBINATION OF CYTOCHOME P450 DEPENDENT PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2003-06-19 WO disclosed
EP-1088098-A2 FITNESS ASSAY AND ASSOCIATED METHODS UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND SOCIAL SERVICES (US) 2001-04-04 EP disclosed
WO-1999067254-A2 MULTI-DRUG RESISTANT RETROVIRAL PROTEASE INHIBITORS AND USE THEREOF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 WO disclosed
WO-1999067417-A2 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 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 (2 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-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS CPS1, CTSS, TST ALDH1A1 1735/4885MAPT 4854/4885L3MBTL1 403/4885
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 ALDH1A1 1840/4885MAPT 3357/4885L3MBTL1 1277/4885

“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.