SCHEMBL13664604

SCHEMBL13664604

COc1ccc(NC(=S)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CNR1 P21554 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR3C1 P04150 1/20 0.39
QPCT Q16769 3/20 0.39
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13664589 0.92 MAPT (0.46) MAPTALDH1A1CNR1KMT2AMEN1
SCHEMBL13664593 0.92 MAPT (0.39) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL13664508 0.91 CNR1 (0.42) MAPTALDH1A1CNR1KMT2AMEN1
SCHEMBL13664310 0.89 CFTR (0.46) MAPTALDH1A1CNR1KMT2AGAA
SCHEMBL13664521 0.89 CNR1 (0.42) MAPTALDH1A1CNR1KMT2AMEN1
SCHEMBL13664602 0.89 MAPT (0.43) MAPTALDH1A1CNR1KMT2AMEN1
SCHEMBL13664401 0.88 ABCB1 (0.41) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL13664398 0.88 NPC1 (0.46) MAPTALDH1A1CNR1KMT2AGAA
SCHEMBL13664592 0.88 SLC6A3 (0.43) MAPTALDH1A1CNR1KMT2AMEN1
SCHEMBL13664586 0.88 SLC6A3 (0.43) MAPTALDH1A1CNR1KMT2AMEN1

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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R MAPT 4701/4885ALDH1A1 3415/4885CNR1 367/4885

“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.