SCHEMBL14418224

SCHEMBL14418224

CNC(=O)c1cc(N)ccc1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ THRB P10828 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 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
SCHEMBL3857309 0.82 CA2 (0.47) ALOX5PLK1KMT2AGAAMEN1
SCHEMBL8592870 0.80 KDM4E (0.55) ALOX5KMT2AGAAMEN1TDP1
SCHEMBL19445594 0.80 KDM4E (0.45) ALOX5KMT2AGAAMEN1TDP1
SCHEMBL6999569 0.79 GAA (0.57) ALOX5GAATDP1ALDH1A1MAPT
SCHEMBL25635486 0.78 KMT2A (0.57) ALOX5KMT2AGAAMEN1TDP1
SCHEMBL31079645 0.77 CASP1 (0.45) ALOX5KMT2AGAAMEN1TDP1
SCHEMBL10156668 0.77 CASP1 (0.45) ALOX5KMT2AGAAMEN1TDP1
SCHEMBL2299271 0.77 ALOX5 (0.67) ALOX5KMT2AGAAMEN1TDP1
SCHEMBL8240081 0.76 KMT2A (0.38) ALOX5KMT2AGAAMEN1TDP1
SCHEMBL2301531 0.75 GAA (0.56) ALOX5PLK1KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 — — 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-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 ALOX5 2060/4885PLK1 2863/4885KMT2A 2529/4885

“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.

Send feedback