SCHEMBL3010041

SCHEMBL3010041

CCCC(C)C(C)CNC(=O)c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
HRH3 Q9Y5N1 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP1 P53582 1/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL3010858 0.89 HPGD (0.36) HPGDRAB9AHRH3HRH4NPC1
SCHEMBL6673524 0.81 ACR (0.42) HPGDRAB9A
SCHEMBL3007250 0.78 LMNA (0.33) HPGDHRH3HRH4LMNA
SCHEMBL2995161 0.77 POLB (0.41) HPGDRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL1437259 0.77 CNR1 (0.41) HTTL3MBTL1LMNAMAPTKDM4E
SCHEMBL27781543 0.76 MAPT (0.34) HPGDHRH3HRH4MAPT
SCHEMBL27781565 0.76 LMNA (0.35) HPGDSMN1; SMN2LMNA
SCHEMBL3002831 0.75 CNR2 (0.33)
SCHEMBL10245943 0.75 KDM4E (0.49) HPGDRAB9ANPC1HTTSMN1; SMN2
SCHEMBL3008643 0.74 KDM4E (0.55) HPGDHTTSMN1; SMN2L3MBTL1LMNA

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 3 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
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 HPGD 685/4885RAB9A 3134/4885HRH3 62/4885

“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.