Sugi Predict

Sugi Predict / Compounds / SCHEMBL4329162

SCHEMBL4329162

SCHEMBL4329162

NC(=S)N/N=C/c1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL4329165 1.00 KDM4E (0.42) KDM4EMAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL4334392 0.92 MAPT (0.45) KDM4EMAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL4334389 0.92 MAPT (0.45) KDM4EMAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL4326719 0.90 ALDH1A1 (0.49) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4326722 0.90 ALDH1A1 (0.49) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4328152 0.89 CYP2A13 (0.42) KDM4EMAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL4328156 0.89 CYP2A13 (0.42) KDM4EMAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL4335612 0.89 PKM (0.53) KDM4EMAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL4335617 0.89 PKM (0.53) KDM4EMAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL4338126 0.88 MAPT (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1

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 6 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-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 KDM4E 3010/4885MAPT 3619/4885PKM 4105/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885MAPT 3876/4885PKM 4038/4885

“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.