Sugi Predict

Sugi Predict / Compounds / SCHEMBL4457930

SCHEMBL4457930

SCHEMBL4457930

NC(=S)N/N=C/c1cc(F)c(N2CCC(NCc3cccc(Cl)c3)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ ALOX12 P18054 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CARM1 Q86X55 3/20 0.43
▸ PRMT6 Q96LA8 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAOB P27338 2/20 0.39
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4451504 1.00 TMEM97 (0.48) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL6442211 0.91 ALOX12 (0.44) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL4332973 0.91 TMEM97 (0.41) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL4332967 0.91 TMEM97 (0.41) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL4324180 0.91 MAOB (0.45) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL4324178 0.91 MAOB (0.45) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL4336923 0.89 TMEM97 (0.41) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL4336927 0.89 TMEM97 (0.41) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL4338687 0.88 TMEM97 (0.46) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1
SCHEMBL13611881 0.88 TMEM97 (0.46) TMEM97SIGMAR1ALOX12ALDH1A1NPSR1

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 7 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
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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 — — 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 TMEM97 784/4885SIGMAR1 948/4885ALOX12 1149/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TMEM97 720/4885SIGMAR1 776/4885ALOX12 952/4885

“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.