SCHEMBL6454700

SCHEMBL6454700

CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ncccc2C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RIPK1 Q13546 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ MALT1 Q9UDY8 7/20 0.38
▸ SCD O00767 1/20 0.38
▸ MET P08581 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37

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
SCHEMBL6451304 0.88 SMN1; SMN2 (0.46) TP53HPGDSMN1; SMN2CACNA1GCACNA1H
SCHEMBL6450624 0.84 NPSR1 (0.42) TP53HPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL6448871 0.84 NPSR1 (0.46) NPSR1HSD17B10HSD11B1
SCHEMBL6454849 0.84 CA9 (0.43) NPSR1HSD17B10HSD11B1
SCHEMBL6454128 0.82 MARS1 (0.44) TP53HPGDSMN1; SMN2RIPK1CACNA1G
SCHEMBL6453600 0.73 ALDH1A1 (0.48) TP53HPGDSMN1; SMN2RIPK1HSD11B1
SCHEMBL6448700 0.72 TP53 (0.46) TP53HSD11B1
SCHEMBL6449899 0.71 NPSR1 (0.46) SMN1; SMN2NPSR1HSD17B10HSD11B1
SCHEMBL6457912 0.70 NPSR1 (0.46) NPSR1HSD17B10HSD11B1
SCHEMBL6451253 0.67 ALDH1A1 (0.52) HPGDNPSR1RIPK1

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 TP53 107/4885HPGD 258/4885SMN1; 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.

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