SCHEMBL1612925

SCHEMBL1612925

CCc1cccc(CC)c1-n1nnnc1CCC(=O)Nc1cc(C)nn1Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL1612083 0.87 THRB (0.42) SMN1; SMN2HTTPKMTP53MAPT
SCHEMBL1612005 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AKCNJ6KCNJ5
SCHEMBL1493570 0.84 TP53 (0.38) SMN1; SMN2HTTPKMTP53MAPT
SCHEMBL1493574 0.79 TP53 (0.41) SMN1; SMN2HTTPKMTP53MAPT
SCHEMBL1612000 0.77 HTT (0.45) SMN1; SMN2HTTTP53MAPTALDH1A1
SCHEMBL1493469 0.77 MAPT (0.44) SMN1; SMN2KMT2AHTTPKMTP53
SCHEMBL1493414 0.74 HSD11B1 (0.45) SMN1; SMN2MEN1KMT2AHTTPKM
SCHEMBL1612525 0.73 ALDH1A1 (0.52) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL1493380 0.72 MAPT (0.45) MEN1KMT2AHTTTP53MAPT
SCHEMBL1493310 0.71 ALDH1A1 (0.42) SMN1; SMN2HTTTP53MAPTALDH1A1

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 SMN1; SMN2 4215/4885MEN1 683/4885KMT2A 1510/4885

“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.