SCHEMBL4451545

SCHEMBL4451545

COCCN(N=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(N)=S

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
PTPN12 Q05209 1/20 0.46
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.40
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4333009 0.89 PTPN1 (0.51) PTPN1PTPN12KDM4EALDH1A1KMT2A
SCHEMBL4344446 0.89 PTPN1 (0.51) PTPN1PTPN12KDM4EALDH1A1KMT2A
SCHEMBL4324296 0.81 PTPN1 (0.43) PTPN1PTPN12KDM4EALDH1A1KMT2A
SCHEMBL4557417 0.81 NPFFR1 (0.57) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL4331994 0.81 NPFFR1 (0.57) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL4456172 0.77 NPFFR1 (0.36) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL4451550 0.76 PTPN1 (0.66) PTPN1PTPN12KDM4EALDH1A1KMT2A
SCHEMBL4451543 0.76 PTPN1 (0.66) PTPN1PTPN12KDM4EALDH1A1KMT2A
SCHEMBL4331501 0.76 KMT2A (0.53) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL4325235 0.74 ALDH1A1 (0.73) PTPN1PTPN12KDM4EALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PTPN1 525/4885PTPN12 825/4885KDM4E 2338/4885

“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.