SCHEMBL1611276

SCHEMBL1611276

COc1ccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccc(F)cc2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
LMNA P02545 5/20 0.58
MAPT P10636 4/20 0.58
USP2 O75604 1/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 3/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL1610964 0.95 ALDH1A1 (0.61) ALDH1A1LMNAMAPTUSP2MEN1
SCHEMBL1613150 0.92 ALDH1A1 (0.59) ALDH1A1LMNAMAPTUSP2MEN1
SCHEMBL1611095 0.92 ALDH1A1 (0.56) ALDH1A1LMNAMAPTUSP2MEN1
SCHEMBL1612781 0.90 ALDH1A1 (0.53) ALDH1A1LMNAMAPTUSP2MEN1
SCHEMBL1611619 0.89 ALDH1A1 (0.61) ALDH1A1LMNAMAPTUSP2MEN1
SCHEMBL1493476 0.89 MEN1 (0.63) ALDH1A1LMNAMAPTUSP2MEN1
SCHEMBL1611384 0.88 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1613064 0.87 LMNA (0.66) ALDH1A1LMNAMAPTUSP2TSHR
SCHEMBL1493598 0.86 ALDH1A1 (0.51) ALDH1A1LMNAMAPTUSP2MEN1
SCHEMBL1612385 0.86 ALDH1A1 (0.53) ALDH1A1LMNAUSP2MEN1KMT2A

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 1 patent. 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

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 3233/4885LMNA 4145/4885MAPT 1288/4885

“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.