SCHEMBL4330337

SCHEMBL4330337

CN1CCN(c2cccc(OCc3cccc(C=NNC(N)=S)c3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.47
POLB P06746 2/20 0.47
TYR P14679 1/20 0.45
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
ALOX12 P18054 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HCRTR1 O43613 1/20 0.44
MAOB P27338 1/20 0.44
SPHK2 Q9NRA0 4/20 0.44
SPHK1 Q9NYA1 3/20 0.44
LMNA P02545 3/20 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
SCHEMBL4330335 1.00 AGXT (0.47) AGXTPOLBTYRKMT2AMAPT
SCHEMBL4336872 0.92 TYR (0.49) POLBTYRKMT2AMAPTUSP2
SCHEMBL4336869 0.92 TYR (0.49) POLBTYRKMT2AMAPTUSP2
SCHEMBL4325611 0.91 ALDH1A1 (0.48) TYRKMT2AMAPTUSP2MAPK1
SCHEMBL4325608 0.91 ALDH1A1 (0.48) TYRKMT2AMAPTUSP2MAPK1
SCHEMBL4336069 0.79 KMT2A (0.62) POLBKMT2AMAPTNPSR1ALOX12
SCHEMBL4336072 0.79 KMT2A (0.62) POLBKMT2AMAPTNPSR1ALOX12
SCHEMBL4331962 0.74 MAPT (0.52) POLBKMT2AMAPTUSP2NPSR1
SCHEMBL4331967 0.74 MAPT (0.52) POLBKMT2AMAPTUSP2NPSR1
SCHEMBL4178519 0.74 USP2 (0.63) AGXTKMT2AMAPTUSP2MAPK1

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 AGXT 547/4885POLB 3179/4885TYR 1808/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 AGXT 466/4885POLB 3934/4885TYR 2113/4885

“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.