SCHEMBL23337477

SCHEMBL23337477

O=C(O)c1cc(Nc2ccccc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 1/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
KDM6B O15054 1/20 0.52
TET3 O43151 1/20 0.52
KDM4A O75164 1/20 0.52
BBOX1 O75936 1/20 0.52
KDM5A P29375 1/20 0.52
KDM5C P41229 1/20 0.52
ASPH Q12797 1/20 0.52
KDM4D Q6B0I6 1/20 0.52
TET2 Q6N021 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.52
KDM7A Q6ZMT4 1/20 0.52
KDM8 Q8N371 1/20 0.52
TET1 Q8NFU7 1/20 0.52
EGLN2 Q96KS0 1/20 0.52
FTO Q9C0B1 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52

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
SCHEMBL31633789 0.86 ACVRL1 (0.52) ACVRL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL31580872 0.86 BRAF (0.48) ACVRL1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31580868 0.85 KCNK3 (0.58) ALDH1A1KDM4EMAPTP4HTMMEN1
SCHEMBL29818209 0.80 HDAC6 (0.51) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL28545892 0.79 MAPT (0.55) ACVRL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL5370386 0.79 MMP13 (0.62) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL23488122 0.78 KCNK3 (0.66) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL28663446 0.78 KDM4E (0.55) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL1251612 0.78 KDM4E (0.55) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL5375253 0.78 MAPK10 (0.55) ALDH1A1KDM4EMAPTASPHKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-09-23 US disclosed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP 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-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, RIPK1, RIPK2 ACVRL1 1280/4885ALDH1A1 4581/4885KDM4E 4473/4885

“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.