SCHEMBL4331660

SCHEMBL4331660

NC(=S)NN=Cc1ccc(N2CCN(Cc3cccnc3)CC2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.52
GFER P55789 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4331657 1.00 KDM4E (0.52) KDM4EPOLBGFERHDAC3HDAC4
SCHEMBL4341748 0.89 POLB (0.41) KDM4EPOLBGFERMAPTMAPK1
SCHEMBL4341742 0.89 POLB (0.41) KDM4EPOLBGFERMAPTMAPK1
SCHEMBL4334791 0.89 KDM4E (0.48) KDM4EPOLBGFERHDAC3HDAC4
SCHEMBL4334793 0.89 KDM4E (0.48) KDM4EPOLBGFERHDAC3HDAC4
SCHEMBL4329154 0.87 KDM4E (0.46) KDM4EPOLBGFERHDAC3HDAC4
SCHEMBL4329142 0.87 KDM4E (0.46) KDM4EPOLBGFERHDAC3HDAC4
SCHEMBL4329352 0.86 MAPK1 (0.44) KDM4EMAPK1ALDH1A1HSD11B1DRD2
SCHEMBL4330730 0.86 ALDH1A1 (0.46) KDM4EMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4330727 0.86 ALDH1A1 (0.46) KDM4EMAPTMAPK1SMN1; SMN2ALDH1A1

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 KDM4E 3010/4885POLB 3179/4885GFER 540/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885POLB 3934/4885GFER 417/4885

“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.