SCHEMBL4803376

SCHEMBL4803376

CCOc1ccccc1C(=O)Nc1nc2c(s1)CCCC2C(=O)NCCCN(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.41
HCRTR1 O43613 3/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 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
SCHEMBL3166358 0.84 LMNA (0.62) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL4802563 0.80 MEN1 (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3166329 0.75 LMNA (0.50) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL3157626 0.74 LMNA (0.50) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL3166113 0.73 LMNA (0.53) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL3171310 0.73 MAPT (0.53) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL4805422 0.69 GAA (0.47) LMNAMAPTTP53ALDH1A1NPC1
SCHEMBL4798058 0.68 L3MBTL1 (0.36) MAPTTP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL3166528 0.66 MAPT (0.50) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL13314796 0.65 XIAP (0.37) LMNAMAPTTP53ALDH1A1SMN1; 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 LMNA 3504/4885MAPT 379/4885TP53 3963/4885

“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.