SCHEMBL4344637

SCHEMBL4344637

NC(=S)NN=CC1CCCCN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
GALR3 O60755 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
EPHX1 P07099 3/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL4344643 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EGAAGALR3
SCHEMBL4344632 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EGAAGALR3
SCHEMBL4329557 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EGAASIGMAR1
SCHEMBL4329569 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EGAASIGMAR1
SCHEMBL4329562 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EGAASIGMAR1
SCHEMBL4332164 0.82 HTT (0.42) ALDH1A1SMN1; SMN2KDM4EGAAGALR3
SCHEMBL4332172 0.82 HTT (0.42) ALDH1A1SMN1; SMN2KDM4EGAAGALR3
SCHEMBL4334450 0.80 TYR (0.41) ALDH1A1SMN1; SMN2SIGMAR1KMT2AMEN1
SCHEMBL4334453 0.80 TYR (0.41) ALDH1A1SMN1; SMN2SIGMAR1KMT2AMEN1
SCHEMBL4334459 0.80 TYR (0.41) ALDH1A1SMN1; SMN2SIGMAR1KMT2AMEN1

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 ALDH1A1 1459/4885SMN1; SMN2 4740/4885KDM4E 3010/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885SMN1; SMN2 4815/4885KDM4E 2338/4885

“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.