SCHEMBL6102472

SCHEMBL6102472

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRK1 P41145 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
PDE10A Q9Y233 3/20 0.42
HPGD P15428 1/20 0.42
CHRM1 P11229 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PON1 P27169 1/20 0.42

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
SCHEMBL6101670 0.71 KDM4E (0.42) KDM4EALDH1A1ALOX15HTTGAA
SCHEMBL6101769 0.70 TYR (0.42) KDM4EALDH1A1ALOX15HTTNPC1
SCHEMBL5793964 0.70 FAAH (0.49) KDM4EALDH1A1HPGDMAPT
SCHEMBL368115 0.68 AKR1B1 (0.47) KDM4EALDH1A1PDE10ACHRM1MAPT
SCHEMBL5766292 0.68 CA12 (0.41) KDM4EALDH1A1ALOX15HTTGAA
SCHEMBL5768146 0.68 KDM4E (0.52) KDM4EALDH1A1ALOX15HTTGAA
SCHEMBL6100796 0.68 PTPN1 (0.42) ALDH1A1
SCHEMBL4150996 0.67 CYP1A2 (0.51) ALDH1A1HPGDPOLB
SCHEMBL6102631 0.67 CHRM5 (0.41) CHRM1
SCHEMBL6101250 0.67 CASP3 (0.48) KDM4EALDH1A1HTTNPC1GAA

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 DRD4 2174/4885DRD2 1409/4885KDM4E 4133/4885

“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.