SCHEMBL4801552

SCHEMBL4801552

CCCCCC(=O)Nc1nc2c(s1)CCCC2C(=O)N1CCN(Cc2c(OC)cc(OC)cc2OC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.39
DHODH Q02127 2/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4802748 0.85 MEN1 (0.53) RORCDHODHMAPTMEN1KMT2A
SCHEMBL3162832 0.82 RORC (0.38) RORCDHODHSMN1; SMN2KMT2AALDH1A1
SCHEMBL3156721 0.80 RORC (0.37) RORCDHODHSMN1; SMN2MEN1KMT2A
SCHEMBL4798494 0.79 RORC (0.40) RORCDHODHSMN1; SMN2LMNAMAPK1
SCHEMBL3172493 0.77 MAPT (0.43) MAPTSMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL3167442 0.74 MAPT (0.47) RORCDHODHMAPTSMN1; SMN2MEN1
SCHEMBL3157325 0.74 RORC (0.41) RORCDHODHSMN1; SMN2LMNAGAA
SCHEMBL3157344 0.72 ADORA1 (0.47) RORCDHODHMAPTSMN1; SMN2KMT2A
SCHEMBL3163287 0.70 LMNA (0.42) RORCDHODHMAPTSMN1; SMN2ALDH1A1
SCHEMBL3157596 0.70 ALDH1A1 (0.45) RORCDHODHMAPTSMN1; SMN2KMT2A

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 RORC 746/4885DHODH 2064/4885MAPT 379/4885

“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.