SCHEMBL21392907

SCHEMBL21392907

C=CC(=O)Nc1ccc(Oc2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.71
EGFR P00533 2/20 0.61
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
BTK Q06187 3/20 0.55
NAMPT P43490 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL9017578 0.84 TGM2 (1.00) TGM2EGFRALDH1A1NPC1RAB9A
SCHEMBL14341775 0.83 TGM2 (0.86) TGM2EGFRALDH1A1HPGDSMN1; SMN2
SCHEMBL14791233 0.80 EGFR (0.73) EGFRNPC1RAB9AGAAHPGD
SCHEMBL14165785 0.80 BTK (0.84) TGM2EGFRALDH1A1BTK
SCHEMBL14165468 0.80 BTK (0.84) TGM2EGFRALDH1A1BTK
SCHEMBL160408 0.79 TP53 (0.68) TGM2ALDH1A1NPC1RAB9AHTT
SCHEMBL12519481 0.78 EGFR (1.00) EGFRBTK
SCHEMBL16198404 0.78 RNF4 (0.71) ALDH1A1NPC1RAB9AHTTTDP1
SCHEMBL17531746 0.78 MTNR1A (0.61) EGFRALDH1A1NPC1RAB9AHTT
SCHEMBL16198117 0.78 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AHTTTDP1

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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 TGM2 2225/4885EGFR 2875/4885ALDH1A1 4188/4885

“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.