SCHEMBL22732811

SCHEMBL22732811

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ KIF11 P52732 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RXRA P19793 2/20 0.39
▸ NR4A2 P43354 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KLF5 Q13887 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL22732508 0.89 RAB9A (0.54) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL22732822 0.86 RXRA (0.44) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL22732515 0.85 RAB9A (0.46) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL24389534 0.81 RAB9A (0.45) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL22275384 0.78 NPC1 (0.45) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL6680571 0.78 NPC1 (0.72) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL21398148 0.78 RAB9A (0.56) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL10073169 0.77 RXRA (0.56) RAB9ANPC1ALDH1A1TP53TSHR
SCHEMBL13871684 0.76 NPC1 (0.69) RAB9ANPC1KIF11XDHALDH1A1
SCHEMBL4125159 0.76 NPC1 (0.69) RAB9ANPC1KIF11XDHALDH1A1

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 RAB9A 2950/4885NPC1 2000/4885KIF11 4472/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD RAB9A 2950/4885NPC1 2000/4885KIF11 4472/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD RAB9A 2950/4885NPC1 2000/4885KIF11 4472/4885

“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.

Send feedback