SCHEMBL23925318

SCHEMBL23925318

O=C(O)[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 6/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP51A1 Q16850 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL28922872 1.00 KMT2A (0.43) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22406966 1.00 KMT2A (0.43) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL30089753 1.00 KMT2A (0.43) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22439733 0.93 ALDH1A1 (0.47) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22439709 0.91 CYP3A4 (0.47) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22439716 0.90 KMT2A (0.38) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22439722 0.89 POLB (0.43) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22439735 0.89 CYP3A4 (0.47) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22406933 0.89 CYP3A4 (0.42) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL22439751 0.89 KMT2A (0.43) KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118102874-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2024-05-28 CN disclosed
US-20230200391-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
WO-2023078915-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 WO disclosed
US-20230133087-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2023-05-04 US disclosed
EP-4135523-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2023-02-22 EP disclosed
EP-4135518-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2023-02-22 EP disclosed
CN-115551352-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed
CN-115551354-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed
CN-115551355-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed
CN-115515426-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-23 CN disclosed
EP-3915371-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer AG (DE) 2021-12-01 EP disclosed
WO-2021209365-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2021-10-21 WO disclosed
WO-2021209366-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2021-10-21 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 (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-20230200391-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE ERG28, CYP51A1, ME3 KMT2A 2202/4885CYP3A4 53/4885ALDH1A1 885/4885
US-20230133087-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE ME3, MT-CO2, MT-CO3 KMT2A 1238/4885CYP3A4 44/4885ALDH1A1 427/4885

“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.