SCHEMBL1153490

SCHEMBL1153490

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.34
IDO1 P14902 2/20 0.34
HTR7 P34969 2/20 0.32
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
AKR1B1 P15121 3/20 0.31
GPR84 Q9NQS5 1/20 0.30
PGR P06401 1/20 0.30
PDE7A Q13946 1/20 0.30

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
SCHEMBL1152137 0.82 IDO1 (0.36) CYP46A1IDO1HTR7CBX7CDYL2
SCHEMBL1153094 0.82 ELOVL6 (0.33) CYP46A1IDO1AKR1B1
SCHEMBL1152904 0.81 CYP46A1 (0.41) CYP46A1IDO1HTR7CBX7CDYL2
SCHEMBL1152736 0.80 CYP46A1 (0.39) CYP46A1IDO1HTR7CBX7CDYL2
SCHEMBL1152520 0.79 HTR7 (0.39) CYP46A1IDO1HTR7CBX7CDYL2
SCHEMBL1152471 0.78 CYP46A1 (0.34) CYP46A1IDO1HTR7CBX7CDYL2
SCHEMBL6715061 0.73 DRD4 (0.37) CYP46A1
SCHEMBL1153810 0.71 CYP46A1 (0.42) CYP46A1IDO1CBX7CDYL2CDYL
SCHEMBL1153478 0.70 CYP46A1 (0.39) CYP46A1IDO1CBX7CDYL2CDYL
SCHEMBL1153065 0.70 CYP46A1 (0.39) CYP46A1IDO1CBX7CDYL2CDYL

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 CYP46A1 1649/4885IDO1 4755/4885HTR7 4258/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CYP46A1 1649/4885IDO1 4755/4885HTR7 4258/4885
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CYP46A1 1013/4885IDO1 579/4885HTR7 1449/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CYP46A1 1013/4885IDO1 579/4885HTR7 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.