SCHEMBL22712461

SCHEMBL22712461

Cc1nc(-c2ccc(C3(C)CC3)cc2)ncc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ XDH P47989 2/20 0.46
▸ HPGD P15428 3/20 0.42
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL22712437 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22712492 0.80 KDM4E (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL26941926 0.80 CLK1 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL403150 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4384415 0.79 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL3228101 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5736742 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22732516 0.76 USP1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22283553 0.76 NPC1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL28758109 0.75 KDM4E (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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 2509/4885SMN1; SMN2 2074/4885NPC1 2000/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD ALDH1A1 2509/4885SMN1; SMN2 2074/4885NPC1 2000/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD ALDH1A1 2509/4885SMN1; SMN2 2074/4885NPC1 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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