SCHEMBL5322018

SCHEMBL5322018

N#Cc1c[nH]c2ccc(O)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
CYP2C9 P11712 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
NFKB1 P19838 2/20 0.45
PMP22 Q01453 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR2C P28335 7/20 0.44
NR4A1 P22736 1/20 0.43
HTR1A P08908 5/20 0.43

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
SCHEMBL2006656 0.86 IMPDH2 (0.56) IMPDH2IMPDH1TSHRNPSR1CYP2C9
SCHEMBL3882080 0.81 IMPDH2 (0.46) IMPDH2IMPDH1HTR1AHTR7HTR6
SCHEMBL10085581 0.81 HSD17B10 (0.55) IMPDH2IMPDH1ALDH1A1LMNAKMT2A
SCHEMBL5254495 0.81 CSNK2A1 (0.53) IMPDH2IMPDH1KMT2AMEN1GAA
SCHEMBL5325067 0.80 HTR7 (0.49) IMPDH2IMPDH1ALDH1A1HPGDKMT2A
SCHEMBL1180662 0.78 NPSR1 (0.51) TSHRNPSR1CYP2C9ALDH1A1LMNA
SCHEMBL5327318 0.77 ALDH1A1 (0.52) TSHRNPSR1ALDH1A1LMNANFKB1
SCHEMBL14819972 0.77 HTR3E (0.45) IMPDH2IMPDH1TSHRALDH1A1HPGD
SCHEMBL5327895 0.77 ALDH1A1 (0.51) TSHRNPSR1CYP2C9ALDH1A1LMNA
SCHEMBL5010332 0.76 IMPDH2 (0.72) IMPDH2IMPDH1ALDH1A1LMNAGLA

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-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 IMPDH2 122/4885IMPDH1 70/4885TSHR 4409/4885

“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.