SCHEMBL4324299

SCHEMBL4324299

CN(C)CCNC(=S)NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
PTPN12 Q05209 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 2/20 0.45
PHGDH O43175 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL4324292 1.00 PTPN1 (0.56) PTPN1PTPN12ALDH1A1KDM4ELMNA
SCHEMBL4333008 0.93 PTPN1 (0.66) PTPN1PTPN12ALDH1A1KDM4ELMNA
SCHEMBL4333013 0.93 PTPN1 (0.66) PTPN1PTPN12ALDH1A1KDM4ELMNA
SCHEMBL13886808 0.88 MAPT (0.49) PTPN1PTPN12ALDH1A1KDM4ELMNA
SCHEMBL4326303 0.84 ALDH1A1 (0.51) PTPN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL4326295 0.84 ALDH1A1 (0.51) PTPN1ALDH1A1KDM4ELMNAMAPT
SCHEMBL4344443 0.81 PTPN1 (0.68) PTPN1PTPN12ALDH1A1KDM4ELMNA
SCHEMBL4344448 0.81 PTPN1 (0.68) PTPN1PTPN12ALDH1A1KDM4ELMNA
SCHEMBL4343385 0.80 ALDH1A1 (0.69) PTPN1PTPN12ALDH1A1KDM4ELMNA
SCHEMBL4343380 0.80 ALDH1A1 (0.69) PTPN1PTPN12ALDH1A1KDM4ELMNA

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 PTPN1 476/4885PTPN12 960/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PTPN1 525/4885PTPN12 825/4885ALDH1A1 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.