SCHEMBL2998692

SCHEMBL2998692

CC(C)NC(=O)C=Cc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.38
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL30399406 0.88 SMN1; SMN2 (0.48) ALDH1A1GAAHTTTDP1SMN1; SMN2
SCHEMBL2999884 0.85 TAS1R3 (0.50) ALDH1A1GAAHPGDHTTSMN1; SMN2
SCHEMBL19141883 0.81 HPGD (0.47) HPGDSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL12425749 0.80 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18681702 0.79
SCHEMBL17282613 0.79
SCHEMBL2622485 0.79
SCHEMBL6296569 0.79
SCHEMBL19051540 0.78 FPR2 (0.37) ALDH1A1SMN1; SMN2TAS1R3TAS1R1HDAC3
SCHEMBL2999621 0.78 EGFR (0.47) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A

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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH IP EE B.V. (NL) 2010-08-05 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 ALDH1A1 2060/4885GAA 2859/4885RECQL 4344/4885

“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.