SCHEMBL1611034

SCHEMBL1611034

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2-c2ccc(F)cc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 3/20 0.56
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.49
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 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
SCHEMBL1493373 0.93 NPSR1 (0.55) KMT2AMEN1SMN1; SMN2POLBNPSR1
SCHEMBL1611622 0.92 ALDH1A1 (0.56) KMT2AMEN1SMN1; SMN2POLBNPSR1
SCHEMBL1610113 0.91 NPSR1 (0.52) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL1612310 0.90 NPSR1 (0.51) KMT2ASMN1; SMN2POLBNPSR1ALDH1A1
SCHEMBL1611435 0.88 NPSR1 (0.49) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL1611780 0.88 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2POLBNPSR1
SCHEMBL1493410 0.88 CYP3A4 (0.53) KMT2AMEN1SMN1; SMN2POLBNPSR1
SCHEMBL1493481 0.87 NPSR1 (0.49) KMT2AMEN1SMN1; SMN2POLBNPSR1
SCHEMBL1611938 0.87 ALDH1A1 (0.48) KMT2AMEN1ATMSMN1; SMN2POLB
SCHEMBL1493343 0.87 ALDH1A1 (0.54) KMT2AMEN1SMN1; SMN2POLBALDH1A1

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 2 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
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 KMT2A 1510/4885MEN1 683/4885ATM 4604/4885

“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.