SCHEMBL4804674

SCHEMBL4804674

COc1ccc(C(=O)Nc2nc3c(s2)CCCC3C(=O)N(C)C2CCN(Cc3c(F)cccc3Cl)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.51
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN1A P35498 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
DUSP3 P51452 1/20 0.37
TNIK Q9UKE5 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3171991 0.90 ACHE (0.49) ACHEKDM4EALDH1A1TSHRTDP1
SCHEMBL4796918 0.85 ACHE (0.42) ACHEKDM4EALDH1A1TSHRTDP1
SCHEMBL4797257 0.84 ACHE (0.41) ACHEKDM4EALDH1A1TSHRTDP1
SCHEMBL4797365 0.80 NPY5R (0.37) ACHEALDH1A1SCN1ASCN8ATP53
SCHEMBL4802804 0.80 KDM4E (0.39) ACHEKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL4801194 0.79 RORC (0.35) ACHEKDM4EALDH1A1TSHRTDP1
SCHEMBL3164354 0.75 ACHE (0.41) ACHEKDM4EALDH1A1TSHRTDP1
SCHEMBL3157344 0.73 ADORA1 (0.47) ACHESMN1; SMN2TP53MAPTKMT2A
SCHEMBL4804670 0.72 NPC1 (0.46) KDM4EALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL3167505 0.71 MAPT (0.53) KDM4EALDH1A1SMN1; SMN2TP53MAPT

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 ACHE 39/4885KDM4E 1046/4885ALDH1A1 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.