SCHEMBL3014470

SCHEMBL3014470

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3009276 0.86 VHL (0.42) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27781547 0.85 SMN1; SMN2 (0.46) KDM4EKMT2ASMN1; SMN2POLBHRH3
SCHEMBL6570435 0.81 SHMT2 (0.34) KDM4ESMN1; SMN2HRH3ALDH1A1
SCHEMBL9238328 0.79 MBTPS1 (0.43) SMN1; SMN2POLBALDH1A1HPGDGAA
SCHEMBL2999028 0.78 HPGD (0.33) HRH3HRH4HPGDGAA
SCHEMBL19022027 0.78 LMNA (0.36) KMT2ASMN1; SMN2POLBHPGDGAA
SCHEMBL7676173 0.77 KMT2A (0.33) KMT2A
SCHEMBL27496719 0.76 PSMB8 (0.32) POLBTDP1
SCHEMBL7471241 0.76 CAPN1 (0.37)
SCHEMBL9811844 0.76 CA12 (0.34) KMT2AMEN1CYP1A2

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 KDM4E 4624/4885KMT2A 4334/4885MEN1 1217/4885

“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.