SCHEMBL3172806

SCHEMBL3172806

O=C(COc1ccccc1)Nc1nc2c(s1)CCCC2C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.66
▸ NPC1 O15118 6/20 0.66
▸ MAPT P10636 8/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ THRB P10828 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HPGD P15428 1/20 0.47
▸ GLS O94925 1/20 0.47
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL3165921 0.91 NPC1 (0.66) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3173967 0.85 RAB9A (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3166045 0.83 RAB9A (0.53) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3163782 0.83 RAB9A (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3172349 0.82 ADORA3 (0.50) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL3162896 0.79 NPC1 (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3166048 0.79 CSNK1D (0.51) MAPTALDH1A1RXFP1THRBLMNA
SCHEMBL4803813 0.78 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3166107 0.78 SMN1; SMN2 (0.65) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3172964 0.78 PARP1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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 9 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
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 RAB9A 3147/4885NPC1 2506/4885MAPT 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.

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