SCHEMBL3604652

SCHEMBL3604652

Cc1cccc(-n2ccc(=O)[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
HSP90AA1 P07900 1/20 0.49
MGLL Q99685 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.45
ALOX5 P09917 4/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRB1 P08588 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CASP6 P55212 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40

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
SCHEMBL481991 0.80 SMN1; SMN2 (0.63) SMN1; SMN2MGLLALDH1A1HPGDALOX5
SCHEMBL11132659 0.77 SMN1; SMN2 (0.64) SMN1; SMN2MGLLALDH1A1HPGDALOX5
SCHEMBL482140 0.77 SMN1; SMN2 (1.00) SMN1; SMN2MGLLALOX5MEN1KMT2A
SCHEMBL4334784 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HPGDALKBH5MAPT
SCHEMBL13562672 0.75 ALKBH5 (0.60) SMN1; SMN2HSP90AA1MGLLL3MBTL1ALDH1A1
SCHEMBL14685529 0.75 CRBN (0.65) SMN1; SMN2HSP90AA1MGLLL3MBTL1ALDH1A1
SCHEMBL11482502 0.75 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL15717334 0.72 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDALKBH5MAPT
SCHEMBL6535778 0.70 HSP90AA1 (0.52) HSP90AA1MGLLL3MBTL1ALDH1A1HPGD
SCHEMBL3856173 0.70 ALDH1A1 (0.66) SMN1; SMN2HSP90AA1MGLLL3MBTL1ALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 SMN1; SMN2 4777/4885HSP90AA1 4626/4885MGLL 4458/4885

“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.