SCHEMBL5238428

SCHEMBL5238428

C/C(NCc1ccccc1)=C(/C#N)C(N)=S

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 4/20 0.51
ALOX12 P18054 3/20 0.47
TSHR P16473 2/20 0.47
MAPK10 P53779 2/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL5238435 1.00 ALDH1A1 (0.54) ALDH1A1HPGDALOX12TSHRMAPK10
SCHEMBL5238423 1.00 ALDH1A1 (0.54) ALDH1A1HPGDALOX12TSHRMAPK10
SCHEMBL11539746 0.85 TSHR (0.48) ALDH1A1HPGDALOX12TSHRMAPK10
SCHEMBL11543614 0.85 PLA2G1B (0.50) ALDH1A1TSHRMAPK10GAAMEN1
SCHEMBL11543609 0.85 PLA2G1B (0.50) ALDH1A1TSHRMAPK10GAAMEN1
SCHEMBL11539748 0.85 TSHR (0.48) ALDH1A1HPGDALOX12TSHRMAPK10
SCHEMBL5234638 0.85 NPC1 (0.50) ALDH1A1HPGDALOX12GAAMEN1
SCHEMBL11410237 0.84 TSHR (0.47) ALDH1A1TSHRMAPK10
SCHEMBL11410241 0.84 TSHR (0.47) ALDH1A1TSHRMAPK10
SCHEMBL5235665 0.83 KMT2A (0.47) ALDH1A1HPGDGAAMEN1KMT2A

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-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ALDH1A1 1073/4885HPGD 2215/4885ALOX12 4701/4885

“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.