SCHEMBL1493101

SCHEMBL1493101

SCCSc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
IFNAR1 P17181 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL17058596 0.83 IFNAR1 (0.43) ALDH1A1LMNAMAPK1NPY1RNPY2R
SCHEMBL6293960 0.83 IFNAR1 (0.43) ALDH1A1LMNAMAPK1NPY1RNPY2R
SCHEMBL29364906 0.80 HTR7 (0.47) ALDH1A1LMNAMAPK1MAPTNPSR1
SCHEMBL890866 0.80 HTR7 (0.47) ALDH1A1LMNAMAPK1MAPTNPSR1
SCHEMBL1493098 0.80 IFNAR1 (0.41) ALDH1A1LMNAMAPK1NPY1RNPY2R
SCHEMBL29137793 0.80 IFNAR1 (0.41) ALDH1A1LMNAMAPK1NPY1RNPY2R
SCHEMBL8038665 0.80 IFNAR1 (0.41) ALDH1A1LMNAMAPK1NPY1RNPY2R
SCHEMBL2607777 0.80 IFNAR1 (0.45) ALDH1A1LMNAMAPK1NPY1RNPY2R
SCHEMBL2607764 0.80 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1NPY1RNPY2R
SCHEMBL2607563 0.79 HTR7 (0.59) ALDH1A1LMNAMAPK1NPY1RNPY2R

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
CN-118055922-A Naphthalene dithiol and its derivatives, and their preparation method and use 菅井化学工业株式会社 2024-05-17 CN disclosed
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-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 1735/4885LMNA 3840/4885MAPK1 4242/4885
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 ALDH1A1 1840/4885LMNA 741/4885MAPK1 3795/4885

“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.