SCHEMBL3010551

SCHEMBL3010551

CCCN(CCC)C(=O)c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
MLYCD O95822 1/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
HPGD P15428 3/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
PKM P14618 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 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
SCHEMBL2999656 0.87 MAOA (0.38)
SCHEMBL3004515 0.87 MAOA (0.38)
SCHEMBL3002831 0.77 CNR2 (0.33)
SCHEMBL3014408 0.76 CNR2 (0.32) ALDH1A1MAPTL3MBTL1
SCHEMBL3013035 0.76 MALT1 (0.33) HPGDALDH1A1MAPTKDM4E
SCHEMBL22372214 0.75 TRPM8 (0.35) KDM4E
SCHEMBL3005145 0.73 POLB (0.44) HPGDALDH1A1
SCHEMBL6780313 0.73 GABRA1 (0.41) HPGDALDH1A1L3MBTL1HSD17B10
SCHEMBL2994913 0.71
SCHEMBL3011424 0.70 APP (0.43) TP53ALDH1A1L3MBTL1

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 TP53 3779/4885MLYCD 4568/4885EGFR 2055/4885

“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.