SCHEMBL1613173

SCHEMBL1613173

COc1ccc(Cn2nccc2NC(=O)C(C)Sc2nnnn2-c2cc(C)ccc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
LMNA P02545 6/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 3/20 0.41
ALOX12 P18054 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BTK Q06187 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HKDC1 Q2TB90 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
SCHEMBL1612339 0.91 ALDH1A1 (0.43) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL1612460 0.86 ALDH1A1 (0.58) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL1493380 0.80 MAPT (0.45) ALDH1A1LMNAKMT2AMEN1BTK
SCHEMBL1493358 0.79 MEN1 (0.58) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL1609960 0.79 ALDH1A1 (0.57) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL1493325 0.79 ALDH1A1 (0.62) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL1493501 0.79 ALDH1A1 (0.63) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL1611384 0.78 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL1493549 0.78 ALDH1A1 (0.53) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL1612225 0.78 ALDH1A1 (0.58) ALDH1A1LMNAGAAKMT2AMEN1

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 4145/4885GAA 2218/4885

“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.