SCHEMBL4336786

SCHEMBL4336786

NC(=S)NN=Cc1ccc(COc2ccc(Br)cc2)o1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.56
CTSL P07711 1/20 0.55
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 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
SCHEMBL4336780 1.00 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1GAACTSLNPC1
SCHEMBL4336889 0.83 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1GAACTSLMAPT
SCHEMBL4336892 0.83 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1GAACTSLMAPT
SCHEMBL4330786 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1CTSLNPC1RAB9A
SCHEMBL4330782 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1CTSLNPC1RAB9A
SCHEMBL4325317 0.75 MAPT (0.76) SMN1; SMN2ALDH1A1GAACTSLNPC1
SCHEMBL4325315 0.75 MAPT (0.76) SMN1; SMN2ALDH1A1GAACTSLNPC1
SCHEMBL31758603 0.73 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1GAACTSLNPC1
SCHEMBL7132970 0.72 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL5615197 0.71 KDM4E (0.81) ALDH1A1GAARAB9AMAPTKMT2A

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 3 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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 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 (2 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 SMN1; SMN2 4740/4885ALDH1A1 1459/4885GAA 2113/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 SMN1; SMN2 4815/4885ALDH1A1 1173/4885GAA 2263/4885

“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.