SCHEMBL25549195

SCHEMBL25549195

COc1cccc(C2CC(c3ccc(Br)cc3)=NN2I)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HTT P42858 1/20 0.64
▸ MAPT P10636 6/20 0.57
▸ LMNA P02545 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ RECQL P46063 1/20 0.57
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ YAP1 P46937 1/20 0.53
▸ TEAD4 Q15561 1/20 0.53
▸ CA2 P00918 2/20 0.53
▸ POLB P06746 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ CA1 P00915 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL21401733 0.87 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL21401878 0.86 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL21393098 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052152 0.82 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052324 0.82 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL21392919 0.80 YAP1 (0.83) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052355 0.79 KMT2A (0.86) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052357 0.78 MEN1 (0.84) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052499 0.72 MEN1 (0.74) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL23052455 0.72 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 — — 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 (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-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 ALDH1A1 4188/4885KDM4E 3016/4885SMN1; SMN2 3721/4885

“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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