SCHEMBL6454674

SCHEMBL6454674

Oc1ccc(F)cc1-c1nc(-c2nccc3ccccc23)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.48
CASP3 P42574 3/20 0.43
SENP8 Q96LD8 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP6 Q9GZR1 3/20 0.43
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 5/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 3/20 0.41
CHUK O15111 2/20 0.40
TXNRD1 Q16881 2/20 0.40
NOX4 Q9NPH5 2/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6449624 0.88 S1PR1 (0.50) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL7153774 0.86 S1PR1 (0.51) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL6454197 0.86 S1PR1 (0.51) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL6448752 0.86 S1PR1 (0.48) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL6450307 0.83 S1PR1 (0.51) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL6449975 0.81 S1PR1 (0.50) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL6451961 0.81 MEN1 (0.45) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL6451195 0.80 ADORA2A (0.41) S1PR1MAPTKDM4EMAPK1NPC1
SCHEMBL6467550 0.80 NPC1 (0.43) S1PR1CASP3SENP8SENP7SENP6
SCHEMBL6448845 0.78 KDM4E (0.65) S1PR1CASP3SENP8SENP7SENP6

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 S1PR1 3213/4885CASP3 330/4885SENP8 1825/4885

“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.