SCHEMBL4334594

SCHEMBL4334594

NC(=S)N(Cc1cccnc1)N=Cc1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 8/20 0.46
LMNA P02545 6/20 0.46
GAA P10253 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP3A4 P08684 3/20 0.46
POLB P06746 3/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 6/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2A6 P11509 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL4329107 0.90 ALDH1A1 (0.45) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL4331909 0.89 CYP2A6 (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4329428 0.89 CYP2A6 (0.43) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4333822 0.89 ALDH1A1 (0.50) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4338798 0.88 CYP2A6 (0.48) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4328924 0.86 SLC9A1 (0.42) MAPTALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL4343237 0.86 SIGMAR1 (0.51) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4344682 0.86 MAPT (0.42) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4336312 0.86 ALDH1A1 (0.51) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4340661 0.85 CYP2A6 (0.42) MAPTKDM4EALDH1A1LMNANPSR1

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 MAPT 3619/4885KDM4E 3010/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885KDM4E 2338/4885ALDH1A1 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.