SCHEMBL4336872

SCHEMBL4336872

CN1CCN(c2ccc(OCc3cccc(C=NNC(N)=S)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.49
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HCRTR1 O43613 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL4336869 1.00 TYR (0.49) TYRPOLBKMT2AUSP2MAPT
SCHEMBL4330335 0.92 AGXT (0.47) TYRPOLBKMT2AUSP2MAPT
SCHEMBL4330337 0.92 AGXT (0.47) TYRPOLBKMT2AUSP2MAPT
SCHEMBL4325608 0.83 ALDH1A1 (0.48) TYRKMT2AUSP2MAPTMAPK1
SCHEMBL4325611 0.83 ALDH1A1 (0.48) TYRKMT2AUSP2MAPTMAPK1
SCHEMBL4336069 0.74 KMT2A (0.62) POLBKMT2AMAPTALDH1A1HCRTR1
SCHEMBL4336072 0.74 KMT2A (0.62) POLBKMT2AMAPTALDH1A1HCRTR1
SCHEMBL4331982 0.73 MAPT (0.67) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL4333813 0.73 MAPT (0.67) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL13202898 0.71 RAB9A (0.67) KMT2AUSP2MAPTMAPK1ESR2

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 TYR 1808/4885POLB 3179/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TYR 2113/4885POLB 3934/4885KMT2A 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.