SCHEMBL3162417

SCHEMBL3162417

O=C(/C=C/c1ccco1)Nc1nc2c(s1)CCCC2C(=O)N1CCN(Cc2ccsc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.42
▸ NPC1 O15118 8/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ SMN1; SMN2 Q16637 10/20 0.41
▸ KMT2A Q03164 10/20 0.41
▸ MEN1 O00255 9/20 0.41
▸ POLB P06746 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ LMNA P02545 6/20 0.39
▸ NR0B1 P51843 1/20 0.39
▸ EIF4H Q15056 1/20 0.38
▸ RORC P51449 2/20 0.38
▸ DHODH Q02127 2/20 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
SCHEMBL3162422 1.00 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3163184 0.79 SMN1; SMN2 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3163180 0.79 SMN1; SMN2 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3157373 0.78 POLB (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4800095 0.71 SMN1; SMN2 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3157596 0.70 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1080715 0.69 SMN1; SMN2 (0.63) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1080717 0.69 SMN1; SMN2 (0.63) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4801558 0.69 NPC1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4801430 0.66 RAB9A (0.49) RAB9ANPC1ALDH1A1SMN1; 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 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 RAB9A 3147/4885NPC1 2506/4885ALDH1A1 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.

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