SCHEMBL22732509

SCHEMBL22732509

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ DPP4 P27487 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXRA P19793 2/20 0.33
▸ NR4A2 P43354 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MLYCD O95822 1/20 0.30

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
SCHEMBL22745986 0.86 RAB9A (0.38) RAB9ANPC1DPP4KDM4EKMT2A
SCHEMBL22732508 0.84 RAB9A (0.54) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL22732859 0.80 RAB9A (0.39) RAB9ANPC1DPP4KDM4EKMT2A
SCHEMBL22712502 0.79 KDM4E (0.51) RAB9ANPC1DPP4KDM4EKMT2A
SCHEMBL22732767 0.75 RXRA (0.36) RAB9ANPC1DPP4KDM4EKMT2A
SCHEMBL22732810 0.74 TRPV3 (0.36) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22732811 0.72 RAB9A (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22732833 0.72 KDM4E (0.35) RAB9ANPC1DPP4KDM4EKMT2A
SCHEMBL22732825 0.72 KIF11 (0.33) RAB9ANPC1DPP4KDM4EKMT2A
SCHEMBL22732774 0.71 S1PR1 (0.36) RAB9ANPC1KDM4EKMT2AMEN1

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 2000/4885DPP4 71/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD RAB9A 2950/4885NPC1 2000/4885DPP4 71/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD RAB9A 2950/4885NPC1 2000/4885DPP4 71/4885

“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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