SCHEMBL1493418

SCHEMBL1493418

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ESR1 P03372 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 2/20 0.49
ALOX15 P16050 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1493602 0.93 ALDH1A1 (0.55) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1612460 0.91 ALDH1A1 (0.58) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1493501 0.90 ALDH1A1 (0.63) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1493524 0.88 ALDH1A1 (0.51) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1493325 0.88 ALDH1A1 (0.62) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1611572 0.88 ALDH1A1 (0.60) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1493457 0.87 ALDH1A1 (0.61) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1609960 0.87 ALDH1A1 (0.57) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1612225 0.86 ALDH1A1 (0.58) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL1493358 0.84 MEN1 (0.58) ALDH1A1GAALMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US claimed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP claimed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO claimed
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
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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 (1 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 3233/4885GAA 2218/4885LMNA 4145/4885

“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.