SCHEMBL13611549

SCHEMBL13611549

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
PHGDH O43175 2/20 0.41
RAB9A P51151 2/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
OPRK1 P41145 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
SCHEMBL4336453 0.91 POLB (0.41) ALDH1A1LMNAPHGDHRAB9APOLB
SCHEMBL4336455 0.91 POLB (0.41) ALDH1A1LMNAPHGDHRAB9APOLB
SCHEMBL4557106 0.90 MAOB (0.43) ALDH1A1LMNAPHGDHRAB9APOLB
SCHEMBL4557110 0.90 MAOB (0.43) ALDH1A1LMNAPHGDHRAB9APOLB
SCHEMBL4329465 0.89 PKM (0.47) ALDH1A1LMNARAB9APOLBCASP3
SCHEMBL4329460 0.89 PKM (0.47) ALDH1A1LMNARAB9APOLBCASP3
SCHEMBL4453808 0.89 ALDH1A1 (0.42) ALDH1A1LMNARAB9APOLBL3MBTL1
SCHEMBL4335723 0.89 ALDH1A1 (0.42) ALDH1A1LMNARAB9APOLBL3MBTL1
SCHEMBL4322591 0.88 MAOB (0.41) ALDH1A1PHGDHRAB9ACASP1CASP4
SCHEMBL4330311 0.88 POLB (0.52) ALDH1A1LMNAPHGDHRAB9APOLB

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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1459/4885LMNA 4884/4885PHGDH 2500/4885

“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.