SCHEMBL19924259

SCHEMBL19924259

O=C1N(Cc2ccccc2)[C@@H]([C@]2(O)CCCCC2=O)[C@@H]2CS[C@@H](c3ccccc3)N12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
EHMT2 Q96KQ7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL38658428 1.00 KMT2A (0.39) KMT2AMEN1CYP2C19CYP2C9HPGD
SCHEMBL19938125 1.00 KMT2A (0.39) KMT2AMEN1CYP2C19CYP2C9HPGD
SCHEMBL5739253 1.00 KMT2A (0.39) KMT2AMEN1CYP2C19CYP2C9HPGD
SCHEMBL10072989 0.87 KMT2A (0.45) KMT2AMEN1SMN1; SMN2L3MBTL1GAA
SCHEMBL10047750 0.84 KMT2A (0.43) KMT2AMEN1SMN1; SMN2L3MBTL1GAA
SCHEMBL5738466 0.81 KMT2A (0.38) KMT2AMEN1CYP2C19CYP2C9HPGD
SCHEMBL24741355 0.76 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9HPGD
SCHEMBL5739207 0.76 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9HPGD
SCHEMBL5739211 0.76 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9HPGD
SCHEMBL38657586 0.76 KMT2A (0.45) KMT2AMEN1CYP2C19CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793434-B Process for preparing substituted imidazothiazolones 帝斯曼知识产权资产管理有限公司 2022-05-24 CN disclosed
US-20210040119-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND DSM IP ASSETS BV (NL) 2021-02-11 US disclosed
EP-3293187-A1 A PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND DSM IP Assets B.V. (NL) 2018-03-14 EP disclosed
US-20180065990-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND DSM IP ASSETS B.V. (NL) 2018-03-08 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 (2 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-20210040119-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND ABL1, KRAS, FLI1 KMT2A 278/4885MEN1 875/4885CYP2C19 851/4885
US-20180065990-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED IMIDAZOTHIAZOLONE COMPOUND ABL1, KRAS, FLI1 KMT2A 280/4885MEN1 905/4885CYP2C19 850/4885

“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.