SCHEMBL7948708

SCHEMBL7948708

CCCCCCNC(=O)c1[nH]c(=O)c2ccccc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
NAAA Q02083 2/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PLA2G7 Q13093 1/20 0.46
GPR84 Q9NQS5 2/20 0.45
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
ASAH1 Q13510 2/20 0.44
ALOX5 P09917 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
FPR1 P21462 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7940516 0.75 DRD2 (0.63) USP2NAAAALDH1A1HPGDKDM4E
SCHEMBL5276134 0.74 USP2 (0.61) USP2NAAAALDH1A1HPGDKDM4E
SCHEMBL7947413 0.73 CNR1 (0.54) ALDH1A1KDM4EPOLBMAPT
SCHEMBL31047597 0.72 NCEH1 (0.57) USP2NAAAALDH1A1HPGDKDM4E
SCHEMBL31047578 0.72 NCEH1 (0.57) USP2NAAAALDH1A1HPGDKDM4E
SCHEMBL9212419 0.72 GAA (0.62) USP2NAAAALDH1A1HPGDKDM4E
SCHEMBL13598038 0.72 USP2 (1.00) USP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL22639786 0.72 USP2 (1.00) USP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9277985 0.70 TSHR (0.69) USP2NAAAALDH1A1HPGDTSHR
SCHEMBL13598037 0.70 USP2 (0.98) USP2ALDH1A1HPGDKDM4EHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 USP2 2808/4885NAAA 2513/4885ALDH1A1 2480/4885

“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.