SCHEMBL4801430

SCHEMBL4801430

CC(=O)c1ccc(N2CCN(C(=O)C3CCCc4sc(NC(=O)c5ccco5)nc43)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 5/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 10/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL4801558 0.91 NPC1 (0.50) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL4797943 0.82 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL3156925 0.78 MAPT (0.53) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL3157278 0.78 RAB9A (0.58) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL3174165 0.77 SLC27A1 (0.43) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL3156915 0.77 MAPT (0.51) RAB9ANPC1ALDH1A1MAPTKMT2A
Formic Acid SCHEMBL4796558 0.75 RAB9A (0.54) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL4802659 0.74 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL3166488 0.74 MAPT (0.51) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL4796555 0.73 RAB9A (0.52) RAB9ANPC1ALDH1A1TP53MAPT

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 RAB9A 3147/4885NPC1 2506/4885ALDH1A1 963/4885

“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.