SCHEMBL4877966

SCHEMBL4877966

CCCCCNc1nc2c(s1)CCCC2C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.39
NPY5R Q15761 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
PDK1 Q15118 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
HPGD P15428 3/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.34
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL3260204 0.86 CLK2 (0.37) ALDH1A1PARP1NPY5RALPLALPI
SCHEMBL3166173 0.85 ALDH1A1 (0.37) ALDH1A1NPY5RALPLALPIHPGD
SCHEMBL3539844 0.79 PARP1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1
SCHEMBL13314787 0.79 PARP1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1
SCHEMBL3260207 0.79 ALDH1A1 (0.36) ALDH1A1PARP1NPY5RALPLALPI
SCHEMBL909067 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1
Bromide SCHEMBL3536459 0.78 PARP1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1
SCHEMBL21044296 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1
SCHEMBL3929167 0.78 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1
SCHEMBL4807243 0.77 PARP1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1

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 2 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 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 ALDH1A1 963/4885MEN1 4797/4885KMT2A 1507/4885

“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.