SCHEMBL4330475

SCHEMBL4330475

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
ALOX12 P18054 2/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GCGR P47871 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 1/20 0.37

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
SCHEMBL4330472 1.00 PKM (0.45) PKMMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4322326 0.93 MAPK1 (0.41) PKMMAPTALDH1A1GAAALOX12
SCHEMBL4322322 0.93 MAPK1 (0.41) PKMMAPTALDH1A1GAAALOX12
SCHEMBL4464680 0.91 CASP3 (0.50) PKMMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4464686 0.91 CASP3 (0.50) PKMMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4322538 0.91 L3MBTL1 (0.49) ALDH1A1GAAALOX12NPSR1POLB
SCHEMBL4322537 0.91 L3MBTL1 (0.49) ALDH1A1GAAALOX12NPSR1POLB
SCHEMBL4330651 0.90 ALDH1A1 (0.48) PKMMAPTALDH1A1ALOX12NPSR1
SCHEMBL4330646 0.90 ALDH1A1 (0.48) PKMMAPTALDH1A1ALOX12NPSR1
SCHEMBL4327179 0.90 HTT (0.44) PKMMAPTALDH1A1SMN1; SMN2ALOX12

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 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.