SCHEMBL1493541

SCHEMBL1493541

Sc1nnnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
P2RX7 Q99572 12/20 0.36
KCNN4 O15554 2/20 0.36
HSD17B10 Q99714 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
SCHEMBL1493493 0.88 ALDH1A1 (0.47) ALDH1A1TSHRLMNAALOX15MAPK1
SCHEMBL1612399 0.84 P2RX7 (0.44) ALDH1A1P2RX7KCNN4
SCHEMBL1493397 0.80 P2RX7 (0.52) P2RX7
SCHEMBL3295145 0.79 KCNN4 (0.51) ALDH1A1TSHRP2RX7KCNN4
SCHEMBL1493409 0.77 ALDH1A1 (0.56) ALDH1A1TSHRLMNAALOX15MAPK1
SCHEMBL1493429 0.77 KCNN4 (0.37) ALDH1A1TSHRP2RX7KCNN4
SCHEMBL1610810 0.73 KCNN4 (0.40) ALDH1A1TSHRLMNAALOX15MAPK1
SCHEMBL1493415 0.73 TSHR (0.52) ALDH1A1TSHRLMNAALOX15
SCHEMBL5685523 0.71 MAPT (0.56) ALDH1A1LMNAHTTHSD17B10
SCHEMBL5669758 0.70 MAPT (0.61) ALDH1A1TSHRLMNAHTT

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 3 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 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 3233/4885TSHR 44/4885LMNA 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.