SCHEMBL29677243

SCHEMBL29677243

Cn1cc(-c2ccc(F)c([N+](=O)[O-])c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.54
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.45
HIF1A Q16665 1/20 0.45
CHRM1 P11229 6/20 0.45
BRD4 O60885 1/20 0.45
CCNT1 O60563 1/20 0.44
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
KCNH2 Q12809 2/20 0.43
VCAM1 P19320 1/20 0.43
CHRM5 P08912 1/20 0.41
ACVR1 Q04771 1/20 0.41
PIK3CA P42336 1/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14863117 1.00 ERN1 (0.54) ERN1MAPTLMNAHTTALDH1A1
SCHEMBL16134054 0.84 MAPT (0.58) ERN1MAPTLMNAALDH1A1BRD4
SCHEMBL376601 0.83 MAPT (0.63) ERN1MAPTLMNAALDH1A1ACVR1
SCHEMBL17200520 0.83 ERN1 (0.61) ERN1MAPTLMNAALDH1A1BRD4
SCHEMBL3251984 0.83 ERN1 (0.54) ERN1MAPTALDH1A1BRD4CCNT1
SCHEMBL23070305 0.83 ERN1 (0.57) ERN1MAPTALDH1A1CHRM1CCNT1
SCHEMBL22652108 0.81 ERN1 (0.52) ERN1MAPTBRD4CDK2ACVR1
SCHEMBL29976657 0.81 PDGFRB (0.55) ERN1MAPTLMNAHTTALDH1A1
SCHEMBL11579276 0.79 ALDH1A1 (0.67) MAPTLMNAHTTALDH1A1HIF1A
SCHEMBL20630931 0.78 SIRT6 (0.50) ERN1LMNAALDH1A1BRD4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2024-08-20 US disclosed
CN-111433200-B Compounds and pharmaceutical compositions for the treatment of diseases 加拉帕戈斯股份有限公司 2024-03-22 CN disclosed
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 US disclosed
US-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2022-05-24 US 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-11339166-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 ERN1 4520/4885MAPT 4413/4885LMNA 2998/4885
US-12065443-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases F12, F3, COL1A1 ERN1 4520/4885MAPT 4413/4885LMNA 2998/4885
US-20220340581-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES F12, F3, COL1A1 ERN1 4520/4885MAPT 4413/4885LMNA 2998/4885

“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.