SCHEMBL23908935

SCHEMBL23908935

O=C(O)Cc1n[nH]c2ccccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.51
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
MAP2K4 P45985 2/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
FLT3 P36888 1/20 0.44
CCNA1 P78396 1/20 0.44
GAA P10253 2/20 0.43
IDO1 P14902 2/20 0.43
ALPL P05186 1/20 0.43
HPGD P15428 1/20 0.43
TTK P33981 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL29651055 0.88 LMNA (0.68) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL462088 0.88 LMNA (0.68) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL11806745 0.84 CTNNB1 (0.51) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL21591507 0.83 CYP1A2 (0.58) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL23909017 0.82 SMN1; SMN2 (0.66) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL23908909 0.79 CYP1A2 (0.53) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL30727481 0.79 CYP1A2 (0.53) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL23914670 0.79 SMN1; SMN2 (0.48) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL5717747 0.77 LMNA (1.00) LMNAKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL30151141 0.77 LMNA (1.00) LMNAKDM4EALDH1A1POLBSMN1; SMN2

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 (1 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 LMNA 449/4885KDM4E 3835/4885ALDH1A1 944/4885

“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.