SCHEMBL22732822

SCHEMBL22732822

CNc1nc(-c2ccc(C(C)(C)C)cc2)nc(C)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.44
▸ NR4A2 P43354 2/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ PRKCI P41743 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ XDH P47989 1/20 0.35

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
SCHEMBL22732811 0.86 RAB9A (0.53) RXRANR4A2NPC1RAB9AABCG2
SCHEMBL22732508 0.79 RAB9A (0.54) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL22732515 0.76 RAB9A (0.46) RXRANR4A2NPC1RAB9APRKCI
SCHEMBL22712500 0.75 NPSR1 (0.43) RXRANPC1RAB9AABCG2TP53
SCHEMBL24389534 0.72 RAB9A (0.45) NPC1RAB9ATP53CYP1A2CYP2C9
SCHEMBL22275384 0.70 NPC1 (0.45) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL6680571 0.70 NPC1 (0.72) NPC1RAB9AABCG2TP53ALDH1A1
SCHEMBL21398148 0.70 RAB9A (0.56) NPC1RAB9AABCG2TP53ALDH1A1
SCHEMBL26936219 0.69 CYP1A2 (0.37) RXRANR4A2NPC1RAB9ATP53
SCHEMBL13871684 0.68 NPC1 (0.69) NPC1RAB9AABCG2TP53ALDH1A1

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 5 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
WO-2020243155-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US) 2020-12-03 — — 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 (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 3206/4885NPC1 2000/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD RXRA 2669/4885NR4A2 3206/4885NPC1 2000/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD RXRA 2669/4885NR4A2 3206/4885NPC1 2000/4885

“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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