SCHEMBL22712499

SCHEMBL22712499

Cc1nc(-c2ccc(OC(C)C)cc2)ncc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
XDH P47989 2/20 0.63
KMT2A Q03164 3/20 0.50
MCL1 Q07820 4/20 0.47
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.42
PARP10 Q53GL7 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL29408191 0.88 ALDH1A1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22678610 0.88 ALDH1A1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22712428 0.85 NPC1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28581423 0.83 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22712504 0.80 KMT2A (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL403150 0.79 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4384415 0.79 SMN1; SMN2 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22732764 0.79 KDM4E (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3228101 0.78 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28600149 0.78 ALDH1A1 (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 EP disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 EP disclosed
EP-3968983-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 US disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 US disclosed
EP-3968983-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2022-03-23 EP disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 CN disclosed
US-11208387-B2 Macrocyclic broad spectrum antibiotics GENENTECH, INC. (US) 2021-12-28 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
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
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 ALDH1A1 2509/4885NPC1 2000/4885RAB9A 2950/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD ALDH1A1 2509/4885NPC1 2000/4885RAB9A 2950/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD ALDH1A1 2509/4885NPC1 2000/4885RAB9A 2950/4885

“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.