SCHEMBL6450412

SCHEMBL6450412

COc1ccc(O)c(-c2ccn(Cc3ccc4ccccc4n3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCHR1 Q99705 1/20 0.40
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL6449871 0.82 HTT (0.42) SMN1; SMN2MAPTCYP1A2CYP3A4ALOX5AP
SCHEMBL6448346 0.81 CYP19A1 (0.46) ALDH1A1ALOX15KDM4ECYP19A1MEN1
SCHEMBL6448853 0.77 GUSB (0.43) GUSBALDH1A1SMN1; SMN2ALOX15LMNA
SCHEMBL8447012 0.70 POLB (0.45) SMN1; SMN2MAPTCYP1A2CYP2E1CYP3A4
SCHEMBL5903835 0.69 HDAC1 (0.50) ALDH1A1SMN1; SMN2MAPTMCHR1NPC1
SCHEMBL6454652 0.69 BRS3 (0.40) ALDH1A1SMN1; SMN2ALOX15LMNAMAPT
SCHEMBL7457140 0.68 PDE10A (0.60) ALOX5APPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL15164136 0.67 ALDH1A1 (0.49) ALDH1A1CYP1A2PDE10AMEN1KMT2A
SCHEMBL8732702 0.67 PDE10A (0.66) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL6449917 0.66 MAPT (0.50) ALDH1A1SMN1; SMN2ALOX15LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GUSB 703/4885ALDH1A1 287/4885SMN1; SMN2 4633/4885

“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.