SCHEMBL463170

SCHEMBL463170

Cc1cc(C(F)(F)F)c2c(N)c(C(=O)O)sc2n1.Cc1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
IKBKB O14920 2/20 0.51
LIMK1 P53667 4/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 1/20 0.47
BRCA1 P38398 1/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
USP28 Q96RU2 1/20 0.47

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
SCHEMBL4899387 0.92 ALDH1A1 (0.64) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL30968413 0.92 ALDH1A1 (0.64) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL10134575 0.82 RAB9A (0.74) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL463169 0.80 LMNA (0.56) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL4888275 0.78 USP28 (0.74) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL4892272 0.78 LMNA (0.73) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL428632 0.78 RAB9A (0.70) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL18537671 0.78 LMNA (0.66) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL4898042 0.77 KDM4E (0.72) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL4896454 0.76 NPC1 (0.60) LMNAALDH1A1MAPTNPC1RAB9A

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-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US 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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 LMNA 4264/4885ALDH1A1 1271/4885MAPT 138/4885

“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.