SCHEMBL19204434

SCHEMBL19204434

CC1=CC2CC1C(C(=O)NNc1ccccc1)C2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3278424 0.78 POLB (0.40) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19204355 0.77 TDP1 (0.67) GAASMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL2631734 0.74 POLB (0.41) SMN1; SMN2TDP1ALDH1A1MEN1KMT2A
SCHEMBL13518155 0.73 POLB (0.41) MEN1KMT2AKDM4EPOLB
SCHEMBL10588584 0.71 POLB (0.34) SMN1; SMN2TDP1ALDH1A1MEN1KMT2A
SCHEMBL13517077 0.70 POLB (0.41) POLB
SCHEMBL11223520 0.69 POLB (0.41) TDP1ALDH1A1LMNAPOLB
SCHEMBL30945753 0.68 PPARG (0.36) GAASMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL9743683 0.68 POLB (0.34) SMN1; SMN2TDP1ALDH1A1KDM4ELMNA
SCHEMBL3600320 0.67 GAA (0.71) GAASMN1; SMN2TDP1CYP3A4ALOX5

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-20170217879-A1 PHENYLHYDRAZINE/ANHYDRIDE ADDUCTS AND ANAEROBIC CURABLE COMPOSITIONS USING SAME HENKEL AG & CO. KGAA (DE) 2017-08-03 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-20170217879-A1 PHENYLHYDRAZINE/ANHYDRIDE ADDUCTS AND ANAEROBIC CURABLE COMPOSITIONS USING SAME AHCY, BAP1, GLO1 GAA 2944/4885SMN1; SMN2 2004/4885TDP1 1641/4885

“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.