SCHEMBL1493202

SCHEMBL1493202

CCC(C[O])Nc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL3999085 0.83 KCNH3 (0.47) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
SCHEMBL4594822 0.76 ALDH1A1 (0.48) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
SCHEMBL5342232 0.74 RAB9A (0.50) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
SCHEMBL5342235 0.74 RAB9A (0.50) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
SCHEMBL5377321 0.74 RAB9A (0.50) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
Hydrochloric Acid SCHEMBL5388102 0.73 RAB9A (0.49) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
SCHEMBL9359370 0.72 TDP1 (0.54) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
SCHEMBL4424175 0.71 DHODH (0.48) CYP1A2ALDH1A1CYP2C19HIF1ASMN1; SMN2
SCHEMBL8059377 0.71 CYP2C9 (0.51) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4
SCHEMBL8059374 0.71 CYP2C9 (0.51) CYP1A2ALDH1A1CYP2C19HIF1ACYP3A4

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 43 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
CN-100516083-C Glycosylated steroid derivatives with anti-migratory activity UNIBIOSCREEN S A BRUSSELS PRIV (BE) 2009-07-22 CN disclosed
EP-1458447-A2 COMBINATION OF CYTOCHOME P 450 DEPENDENT PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2004-09-22 EP disclosed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004076434-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 CYP1A2 1722/4885ALDH1A1 1735/4885CYP2C19 294/4885
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 CYP1A2 1010/4885ALDH1A1 1840/4885CYP2C19 1075/4885

“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.