SCHEMBL1152137

SCHEMBL1152137

CCCCC1(C)c2cc(Cl)ccc2Nc2c1cc[nH]c2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.34
HTR7 P34969 3/20 0.34
PGR P06401 5/20 0.34
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
AKR1B1 P15121 3/20 0.33
PDE7A Q13946 1/20 0.32
CHEK1 O14757 1/20 0.32
MGAM O43451 1/20 0.32
HTR1A P08908 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
HTR2A P28223 1/20 0.32
HTR6 P50406 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NR3C1 P04150 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL1152904 0.83 CYP46A1 (0.41) IDO1CYP46A1HTR7PGRCBX7
SCHEMBL1152520 0.83 HTR7 (0.39) IDO1CYP46A1HTR7PGRCBX7
SCHEMBL1153490 0.82 CYP46A1 (0.34) IDO1CYP46A1HTR7PGRCBX7
SCHEMBL1152736 0.82 CYP46A1 (0.39) IDO1CYP46A1HTR7PGRCBX7
SCHEMBL1152471 0.82 CYP46A1 (0.34) IDO1CYP46A1HTR7CBX7CDYL2
SCHEMBL1153438 0.79 IDO1 (0.35) IDO1HTR7PGRCBX7CDYL2
SCHEMBL1153810 0.72 CYP46A1 (0.42) IDO1CYP46A1PGRCBX7CDYL2
SCHEMBL1153478 0.71 CYP46A1 (0.39) IDO1CYP46A1PGRCBX7CDYL2
SCHEMBL1152708 0.71 CYP46A1 (0.37) IDO1CYP46A1PGRCBX7CDYL2
SCHEMBL1153065 0.71 CYP46A1 (0.39) IDO1CYP46A1PGRCBX7CDYL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors RODGERS JAMES D (US) 2004-02-05 US claimed
US-6596729-B2 Especially in combination with one or more HIV reverse transcriptase inhibitors, HIV protease inhibitors, fusion inhibitors, and/or CCR-5 BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US claimed
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY 2002-08-08 US claimed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-6969721-B2 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors BRISTOL-MYERS SQUIBB PHARMA (US) 2005-11-29 US disclosed
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors RODGERS JAMES D (US) 2004-02-05 US disclosed
US-6596729-B2 Especially in combination with one or more HIV reverse transcriptase inhibitors, HIV protease inhibitors, fusion inhibitors, and/or CCR-5 BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY 2002-08-08 US 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS IDO1 4755/4885CYP46A1 1649/4885HTR7 4258/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS IDO1 4755/4885CYP46A1 1649/4885HTR7 4258/4885
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD IDO1 579/4885CYP46A1 1013/4885HTR7 1449/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD IDO1 579/4885CYP46A1 1013/4885HTR7 1449/4885

“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.