SCHEMBL21950508

SCHEMBL21950508

O=C1CSC(S)N1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
POLB P06746 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
EHMT2 Q96KQ7 1/20 0.50
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL28785908 0.76 KMT2A (0.57) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL19306397 0.73 KMT2A (0.78) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL744601 0.70 KMT2A (0.56) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL747914 0.70 KMT2A (0.66) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL747775 0.70 HCRTR2 (0.73) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL5161712 0.69 MEN1 (0.48) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL6828413 0.68 EHMT2 (0.47) KMT2AMEN1CYP2C19EHMT2HPGD
SCHEMBL23470173 0.67 EHMT2 (0.55) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL21538655 0.67 LMNA (0.50) KMT2AMEN1EHMT2HPGDLMNA
SCHEMBL29039808 0.67 EHMT2 (0.50) KMT2AMEN1POLBCYP2C19EHMT2

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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 KMT2A 2000/4885MEN1 3711/4885POLB 4563/4885

“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.