SCHEMBL4797257

SCHEMBL4797257

CC=CC=CC(=O)Nc1nc2c(s1)CCCC2C(=O)N(C)C1CCN(Cc2c(F)cccc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
SCN8A Q9UQD0 2/20 0.38
SCN1A P35498 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.34
RORC P51449 2/20 0.33
DHODH Q02127 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
JAK2 O60674 1/20 0.32

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
SCHEMBL4801194 0.95 RORC (0.35) ACHESCN8ASCN1AALDH1A1KDM4E
SCHEMBL4796918 0.86 ACHE (0.42) ACHESCN8ASCN1AALDH1A1KDM4E
SCHEMBL4808373 0.85 HDAC1 (0.40) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL4804674 0.84 ACHE (0.51) ACHESCN8ASCN1AALDH1A1KDM4E
SCHEMBL4797365 0.81 NPY5R (0.37) ACHESCN8ASCN1AALDH1A1JAK2
SCHEMBL4802804 0.81 KDM4E (0.39) ACHEALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL3164354 0.75 ACHE (0.41) ACHESCN8ASCN1AALDH1A1KDM4E
SCHEMBL3171991 0.74 ACHE (0.49) ACHESCN8ASCN1AALDH1A1KDM4E
SCHEMBL4805240 0.71 HDAC1 (0.42) ALDH1A1KDM4EL3MBTL1SMN1; SMN2GAA
SCHEMBL4805873 0.71 CHRM4 (0.42) ALDH1A1KDM4ESMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 39/4885SCN8A 275/4885SCN1A 410/4885

“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.