SCHEMBL1610173

SCHEMBL1610173

Cc1ccc(-n2nnnc2SCC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.76
ALPL P05186 1/20 0.65
ALPG P10696 1/20 0.65
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
LMNA P02545 2/20 0.62
TSHR P16473 2/20 0.62
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.62
ESR2 Q92731 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
NTRK1 P04629 1/20 0.57
NTRK2 Q16620 1/20 0.57
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL14606081 0.89 KMT2A (0.65) POLBALPLALPGMEN1KMT2A
SCHEMBL1610031 0.87 POLB (1.00) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL1493449 0.86 POLB (0.68) POLBALPLALPGMEN1KMT2A
SCHEMBL7992707 0.85 POLB (0.97) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL24209664 0.84 ALPL (0.73) POLBALPLALPGMEN1KMT2A
SCHEMBL1612844 0.84 POLB (0.73) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL27895613 0.84 SMN1; SMN2 (0.63) POLBALPLALPGMEN1KMT2A
SCHEMBL27303492 0.82 MAPT (0.78) POLBALPLALPGMEN1KMT2A
SCHEMBL1493311 0.81 ALDH1A1 (0.76) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL1611721 0.81 LMNA (0.76) POLBMEN1KMT2AALDH1A1LMNA

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 POLB 4782/4885ALPL 3903/4885ALPG 4678/4885

“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.