SCHEMBL4459407

SCHEMBL4459407

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccccc3F)CC2)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 3/20 0.41
NPY2R P49146 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2A13 Q16696 1/20 0.38
RRM2 P31350 1/20 0.37
HPGD P15428 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
SCHEMBL4459405 1.00 MAOB (0.49) MAOBALDH1A1KMT2AKDM4EPOLB
SCHEMBL4335442 0.90 MAOB (0.42) MAOBALDH1A1KMT2AKDM4EPOLB
SCHEMBL4335444 0.90 MAOB (0.42) MAOBALDH1A1KMT2AKDM4EPOLB
SCHEMBL4344613 0.90 ALDH1A1 (0.48) MAOBALDH1A1KMT2AKDM4EPOLB
SCHEMBL4344610 0.90 ALDH1A1 (0.48) MAOBALDH1A1KMT2AKDM4EPOLB
SCHEMBL4322538 0.88 L3MBTL1 (0.49) MAOBALDH1A1KMT2AKDM4EPOLB
SCHEMBL4322537 0.88 L3MBTL1 (0.49) MAOBALDH1A1KMT2AKDM4EPOLB
SCHEMBL4329805 0.88 KDM4E (0.47) ALDH1A1KMT2AKDM4EPOLBHTT
SCHEMBL4329803 0.88 KDM4E (0.47) ALDH1A1KMT2AKDM4EPOLBHTT
SCHEMBL4324284 0.87 MAOB (0.50) MAOBALDH1A1KMT2AKDM4EPOLB

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 MAOB 3093/4885ALDH1A1 1173/4885KMT2A 3714/4885

“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.