SCHEMBL4333024

SCHEMBL4333024

NC(=S)N/N=C/C1CCCCN1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
SENP1 Q9P0U3 1/20 0.34

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
SCHEMBL4333033 1.00 GPBAR1 (0.41) GPBAR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4333027 1.00 GPBAR1 (0.41) GPBAR1KDM4EALDH1A1HPGDMEN1
SCHEMBL4326601 0.86 ALDH1A1 (0.38) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL4326605 0.86 ALDH1A1 (0.38) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL4334450 0.84 TYR (0.41) ALDH1A1HPGDMEN1LMNAMAPT
SCHEMBL4329557 0.84 ALDH1A1 (0.45) KDM4EALDH1A1MAPTKMT2ANPSR1
SCHEMBL4329562 0.84 ALDH1A1 (0.45) KDM4EALDH1A1MAPTKMT2ANPSR1
SCHEMBL4334453 0.84 TYR (0.41) ALDH1A1HPGDMEN1LMNAMAPT
SCHEMBL4329569 0.84 ALDH1A1 (0.45) KDM4EALDH1A1MAPTKMT2ANPSR1
SCHEMBL4334459 0.84 TYR (0.41) ALDH1A1HPGDMEN1LMNAMAPT

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 GPBAR1 1437/4885KDM4E 3010/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GPBAR1 1141/4885KDM4E 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.