SCHEMBL6450097

SCHEMBL6450097

Oc1ccc2ccccc2c1-c1nc(-c2ccccc2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.59
MAPT P10636 6/20 0.59
NFKB1 P19838 5/20 0.59
NFKB2 Q00653 5/20 0.59
RELA Q04206 5/20 0.59
HSD17B10 Q99714 4/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
TP53 P04637 4/20 0.59
MAPK1 P28482 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
HPGD P15428 3/20 0.59
TSHR P16473 1/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CHUK O15111 1/20 0.56
CASP3 P42574 1/20 0.56
TXNRD1 Q16881 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL6452382 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNFKB1NFKB2RELA
SCHEMBL6449975 0.80 S1PR1 (0.50) SMN1; SMN2MAPTNFKB1NFKB2RELA
SCHEMBL6451167 0.80 TP53 (0.63) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL17125545 0.80 NR1H4 (0.70) SMN1; SMN2MAPTNFKB1NFKB2RELA
SCHEMBL24891370 0.79 PTPN22 (0.47) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL4612668 0.79 PTPN22 (0.47) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL29670559 0.79 PTPN22 (0.47) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL20962174 0.78 ESR1 (0.55) SMN1; SMN2MAPTHSD17B10L3MBTL1TSHR
SCHEMBL6450400 0.77 NPC1 (0.53) SMN1; SMN2MAPTNFKB1NFKB2RELA
SCHEMBL23607024 0.76 ESR1 (0.50) SMN1; SMN2MAPTHSD17B10TSHRATM

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 SMN1; SMN2 4633/4885MAPT 2805/4885NFKB1 1490/4885

“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.