SCHEMBL1493532

SCHEMBL1493532

O=C(O)CCc1nnnn1-c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.54
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
HDAC6 Q9UBN7 2/20 0.44
ADRB2 P07550 1/20 0.44
P2RX4 Q99571 1/20 0.41
NOTUM Q6P988 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 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
SCHEMBL13547674 0.88 HSD11B1 (0.53) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL1702686 0.88 HSD11B1 (0.50) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL1493404 0.79 HSD11B1 (0.64) HSD11B1ALDH1A1HSD17B10MAPTHDAC6
SCHEMBL1493377 0.79 HSD11B1 (0.74) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13547706 0.78 RORC (0.46) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL1703004 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL859415 0.75 ALDH1A1 (0.74) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL1493589 0.74 HSD11B1 (0.57) HSD11B1ALDH1A1KMT2AHTTHDAC6
SCHEMBL10680419 0.74 HSD11B1 (0.51) HSD11B1ALDH1A1MAPT
SCHEMBL1493557 0.73 HSD11B1 (0.48) HSD11B1MAPTHDAC6FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO disclosed
CN-1720043-A Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INT (DE) 2006-01-11 CN disclosed
EP-1569919-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-09-07 EP disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 US disclosed
WO-2004050643-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-06-17 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-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 HSD11B1 1036/4885ALDH1A1 1533/4885HSD17B10 669/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HSD11B1 1201/4885ALDH1A1 3233/4885HSD17B10 3334/4885

“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.