SCHEMBL3157373

SCHEMBL3157373

O=C(C=Cc1ccco1)Nc1nc2c(s1)CCCC2C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ LMNA P02545 6/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ FLT3 P36888 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
SCHEMBL3157367 1.00 POLB (0.44) POLBSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3164089 0.79 POLB (0.47) POLBSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3157099 0.79 POLB (0.47) POLBSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3163184 0.78 SMN1; SMN2 (0.54) POLBSMN1; SMN2LMNAMAPTMEN1
SCHEMBL3162417 0.78 RAB9A (0.42) POLBSMN1; SMN2LMNAMAPTMEN1
SCHEMBL4801558 0.74 NPC1 (0.50) POLBSMN1; SMN2LMNAUSP2MAPT
SCHEMBL3174165 0.72 SLC27A1 (0.43) POLBSMN1; SMN2LMNAMAPTMEN1
SCHEMBL4801430 0.70 RAB9A (0.49) POLBSMN1; SMN2LMNAMAPTMEN1
SCHEMBL3166488 0.69 MAPT (0.51) SMN1; SMN2LMNAUSP2TSHRMAPT
SCHEMBL1080715 0.68 SMN1; SMN2 (0.63) POLBSMN1; SMN2LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 — — EP claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 — — US claimed
JP-2007522171-A — — 2007-08-09 — — JP claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 — — US claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 — — EP claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 — — WO claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 — — EP disclosed
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
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 — — EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 — — WO 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 POLB 3518/4885SMN1; SMN2 1583/4885LMNA 3504/4885

“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.

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