SCHEMBL3172964

SCHEMBL3172964

CCCC(=O)Nc1nc2c(s1)CCCC2C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 11/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38
CYP1A2 P05177 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
SCHEMBL3163684 0.84 MAPT (0.41) PARP1ALDH1A1RXFP1KDM4ERAB9A
SCHEMBL3172349 0.83 ADORA3 (0.50) ALDH1A1L3MBTL1KDM4EHTTRAB9A
SCHEMBL3163907 0.82 NPC1 (0.50) PARP1ALDH1A1GAAKDM4EHTT
SCHEMBL3260204 0.80 CLK2 (0.37) PARP1ALDH1A1RAB9ANPC1MAPT
Formic Acid SCHEMBL4806116 0.79 NPC1 (0.47) ALDH1A1GAAKDM4EHTTRAB9A
SCHEMBL3536953 0.79 XIAP (0.36) PARP1ALDH1A1GAAHTTRAB9A
SCHEMBL3172806 0.78 RAB9A (0.66) ALDH1A1RXFP1KDM4ERAB9ASMN1; SMN2
SCHEMBL3172485 0.78 LMNA (0.43) ALDH1A1RXFP1L3MBTL1HTTRAB9A
SCHEMBL1199944 0.77 TSHR (0.43) PARP1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3166107 0.77 SMN1; SMN2 (0.65) ALDH1A1L3MBTL1KDM4EHTTRAB9A

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 5 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
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 PARP1 2387/4885ALDH1A1 963/4885RXFP1 1796/4885

“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.