Sugi Predict

Sugi Predict / Compounds / SCHEMBL4329460

SCHEMBL4329460

SCHEMBL4329460

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ MAOB P27338 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GCGR P47871 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL4329465 1.00 PKM (0.47) PKMMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4557106 0.93 MAOB (0.43) PKMMAPTALDH1A1MAOBPOLB
SCHEMBL4557110 0.93 MAOB (0.43) PKMMAPTALDH1A1MAOBPOLB
SCHEMBL4322284 0.91 ALDH1A1 (0.48) PKMMAPTALDH1A1SMN1; SMN2ALOX12
SCHEMBL4331891 0.91 HTT (0.42) PKMMAPTALDH1A1SMN1; SMN2ALOX12
SCHEMBL4331892 0.91 HTT (0.42) PKMMAPTALDH1A1SMN1; SMN2ALOX12
SCHEMBL4322300 0.91 ALDH1A1 (0.48) PKMMAPTALDH1A1SMN1; SMN2ALOX12
SCHEMBL4330305 0.91 POLB (0.52) PKMMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4330311 0.91 POLB (0.52) PKMMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4325307 0.91 L3MBTL1 (0.52) ALDH1A1GAAALOX12MAOBPOLB

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 PKM 4105/4885MAPT 3619/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PKM 4038/4885MAPT 3876/4885ALDH1A1 1173/4885

“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.