SCHEMBL525331

SCHEMBL525331

NC(=S)NCCc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.62
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Pyridine SCHEMBL6763848 0.86 RAB9A (0.58) IDO1CA1CA2KMT2ASMN1; SMN2
SCHEMBL18317154 0.81 HDAC2 (0.58) HDAC2HDAC8HDAC6CA1CA2
SCHEMBL176047 0.80 CA9 (0.54) KMT2ASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL525787 0.80 NPC1 (0.70) IDO1CA1CA2KMT2ASMN1; SMN2
SCHEMBL525715 0.79 ALDH1A1 (0.56) IDO1HDAC2HDAC8HDAC6KMT2A
SCHEMBL4533729 0.78 IDO1 (0.70) IDO1CA1CA2KMT2ASMN1; SMN2
SCHEMBL4575937 0.78 SMN1; SMN2 (0.62) HDAC2HDAC8HDAC6CA1CA2
SCHEMBL3920092 0.77 IDO1 (0.68) IDO1CA1CA2KMT2ASMN1; SMN2
SCHEMBL3915490 0.77 IDO1 (1.00) IDO1CA1CA2KMT2ASMN1; SMN2
SCHEMBL21357659 0.77 IDO1 (0.68) IDO1CA1CA2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US disclosed
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 US disclosed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 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-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 IDO1 915/4885HDAC2 304/4885HDAC8 909/4885

“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.