SCHEMBL22745802

SCHEMBL22745802

Cc1nc(-c2ccc(OC(C)C)cc2)nc(C)c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.47
▸ NR4A2 P43354 2/20 0.47
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ ACACB O00763 2/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ WDR5 P61964 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ ATM Q13315 1/20 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
SCHEMBL22732754 0.86 KMT2A (0.43) KMT2AMAPTTP53ACACBPARP10
SCHEMBL22732834 0.80 MAPT (0.47) RXRANR4A2KMT2AMAPTTP53
SCHEMBL22732764 0.79 KDM4E (0.40) KMT2AMAPTTP53ACACBPARP10
SCHEMBL22712504 0.78 KMT2A (0.56) RXRANR4A2KMT2AMAPTTP53
SCHEMBL8270868 0.76 PARP10 (0.38) KMT2AMAPTTP53ACACBPARP10
SCHEMBL10073169 0.76 RXRA (0.56) RXRANR4A2KMT2ATP53
SCHEMBL22712537 0.75 KMT2A (0.45) KMT2AMAPTTP53ACACBPARP10
SCHEMBL22732811 0.74 RAB9A (0.53) RXRANR4A2MAPTTP53XDH
SCHEMBL1321790 0.73 NPSR1 (0.37) KMT2AMAPTTP53ACACBMCL1
SCHEMBL26228637 0.73 KMT2A (0.44) KMT2AMAPTTP53ACACBPARP10

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
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 — — EP disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 — — US disclosed
US-11208387-B2 Macrocyclic broad spectrum antibiotics GENENTECH, INC. (US) 2021-12-28 — — US disclosed
US-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. 2020-12-03 — — 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 (3 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-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD RXRA 2669/4885NR4A2 3206/4885KMT2A 3444/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD RXRA 2669/4885NR4A2 3206/4885KMT2A 3444/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD RXRA 2669/4885NR4A2 3206/4885KMT2A 3444/4885

“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.

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