SCHEMBL1153810

SCHEMBL1153810

CCCNCC1(C(F)(F)F)c2cc(Cl)ccc2Nc2c1cc[nH]c2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.42
ELOVL6 Q9H5J4 12/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
NR1I2 O75469 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
ADRB1 P08588 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
CCKBR P32239 1/20 0.34
PPARG P37231 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL1152304 0.86 ELOVL6 (0.39) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1152904 0.85 CYP46A1 (0.41) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1153365 0.84 ELOVL6 (0.40) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1153478 0.83 CYP46A1 (0.39) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1153065 0.82 CYP46A1 (0.39) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1152492 0.82 CYP46A1 (0.37) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1152011 0.82 CYP46A1 (0.40) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1152491 0.81 CYP46A1 (0.38) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1
SCHEMBL1152812 0.81 CNR2 (0.35) MAPT
SCHEMBL1153035 0.81 CYP46A1 (0.39) CYP46A1ELOVL6SMN1; SMN2NR1I2NR3C1

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 1649/4885ELOVL6 467/4885SMN1; SMN2 410/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CYP46A1 1649/4885ELOVL6 467/4885SMN1; SMN2 410/4885
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CYP46A1 1013/4885ELOVL6 2932/4885SMN1; SMN2 2716/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CYP46A1 1013/4885ELOVL6 2932/4885SMN1; SMN2 2716/4885

“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.