SCHEMBL2998710

SCHEMBL2998710

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
DUT P33316 1/20 0.34
HTT P42858 3/20 0.33
HSD17B10 Q99714 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
SCHEMBL27803111 0.84 POLB (0.40) MAPTPOLBALDH1A1GAAHPGD
SCHEMBL7676173 0.81 KMT2A (0.33) KMT2A
SCHEMBL5880077 0.81 KDM6B (0.40) ALDH1A1
SCHEMBL19022027 0.78 LMNA (0.36) POLBGAAHPGDSMN1; SMN2RAB9A
SCHEMBL22455533 0.78 RAB9A (0.39) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL12391741 0.77 HSD11B1 (0.33) GAA
SCHEMBL3009276 0.77 VHL (0.42) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL9385300 0.75 LMNA (0.32) GAALMNA
SCHEMBL3012488 0.75 LMNA (0.51) MAPTPOLBALDH1A1GAAHPGD
SCHEMBL1286676 0.74

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 4 patents. 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
EP-2167474-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES Valletta Health IP EE B.V. (NL) 2010-03-31 EP disclosed
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 CN disclosed
WO-2008153385-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH B.V. (NL) 2008-12-18 WO 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 MAPT 3246/4885POLB 4342/4885ALDH1A1 2060/4885

“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.