SCHEMBL4329323

SCHEMBL4329323

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
TYR P14679 1/20 0.51
MAOA P21397 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PAX8 Q06710 1/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL4329320 1.00 CA1 (0.53) CA1CA2CA7CA9MAPT
SCHEMBL4341474 0.89 CA2 (0.63) CA1CA2CA7CA9ALDH1A1
SCHEMBL4341482 0.89 CA2 (0.63) CA1CA2CA7CA9ALDH1A1
SCHEMBL4336540 0.87 CA1 (0.51) CA1CA2CA7CA9ALDH1A1
SCHEMBL4336537 0.87 CA1 (0.51) CA1CA2CA7CA9ALDH1A1
SCHEMBL4336650 0.86 CA1 (0.51) CA1CA2CA7CA9MAPT
SCHEMBL4336646 0.86 CA1 (0.51) CA1CA2CA7CA9MAPT
SCHEMBL4331401 0.86 TYR (0.53) CA1CA2CA7CA9MAPT
SCHEMBL4331399 0.86 TYR (0.53) CA1CA2CA7CA9MAPT
SCHEMBL4331495 0.85 TYR (0.48) MAPTALDH1A1HPGDTYRMAOA

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 CA1 4212/4885CA2 2391/4885CA7 4460/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 CA1 4236/4885CA2 2331/4885CA7 4498/4885

“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.