SCHEMBL4336431

SCHEMBL4336431

CN1CCN(c2cc(N3CCC(c4cccc(Cl)c4)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
ALOX12 P18054 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 3/20 0.38
HCRTR1 O43613 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOB P27338 2/20 0.38
MAPT P10636 4/20 0.38
MCL1 Q07820 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AOC3 Q16853 2/20 0.37
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCOLN2 Q8IZK6 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL4336436 1.00 ALDH1A1 (0.42) ALDH1A1ALOX12NPSR1KMT2AHCRTR1
SCHEMBL4322550 0.91 MAOB (0.43) ALDH1A1ALOX12NPSR1KMT2AMAOB
SCHEMBL4322554 0.91 MAOB (0.43) ALDH1A1ALOX12NPSR1KMT2AMAOB
SCHEMBL4338612 0.90 ALDH1A1 (0.42) ALDH1A1ALOX12NPSR1KMT2AMAOB
SCHEMBL4338614 0.90 ALDH1A1 (0.42) ALDH1A1ALOX12NPSR1KMT2AMAOB
SCHEMBL4322348 0.90 MAOB (0.44) ALDH1A1ALOX12NPSR1KMT2ACYP1A2
SCHEMBL4329124 0.90 MAOB (0.44) ALDH1A1ALOX12NPSR1KMT2ACYP1A2
SCHEMBL4457805 0.88 DRD2 (0.41) ALDH1A1ALOX12MAOBMAPTMCL1
SCHEMBL4457808 0.88 DRD2 (0.41) ALDH1A1ALOX12MAOBMAPTMCL1
SCHEMBL4330369 0.88 ALDH1A1 (0.40) ALDH1A1ALOX12NPSR1KMT2AHCRTR1

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 7 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 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 ALDH1A1 1459/4885ALOX12 1149/4885NPSR1 4026/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885ALOX12 952/4885NPSR1 3492/4885

“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.