SCHEMBL4802563

SCHEMBL4802563

CN(CCCNC(=O)C1CCCc2sc(NC(=O)CC3CCCCC3)nc21)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 1/20 0.41
CSNK1D P48730 1/20 0.40
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
NPY5R Q15761 1/20 0.38
XIAP P98170 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL4803376 0.80 LMNA (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3163907 0.77 NPC1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4798058 0.75 L3MBTL1 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Formic Acid SCHEMBL4806116 0.74 NPC1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4805422 0.73 GAA (0.47) NPC1RAB9ATSHRALDH1A1GAA
SCHEMBL4803743 0.73 XIAP (0.46) MEN1KMT2AALDH1A1XIAP
SCHEMBL3163132 0.73 KMT2A (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4806056 0.72 PARP1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4806109 0.71 NPC1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3157461 0.71 ACHE (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 MEN1 4797/4885KMT2A 1507/4885NPC1 2506/4885

“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.