SCHEMBL4336696

SCHEMBL4336696

CN(C)[C@@H]1CCN(c2cc(N3CCC(c4ccc(F)cc4)CC3)c(F)cc2C=NNC(N)=S)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
MCHR1 Q99705 4/20 0.34
KMT2A Q03164 3/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHEK2 O96017 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL4336693 1.00 MAOB (0.36) MAOBPOLBMCL1MCHR1KMT2A
SCHEMBL4334610 0.93 MCHR1 (0.42) MAOBMCHR1KMT2AFPR1FPR2
SCHEMBL4334612 0.93 MCHR1 (0.42) MAOBMCHR1KMT2AFPR1FPR2
SCHEMBL4333920 0.93 MAOB (0.40) MAOBMCHR1KMT2AFPR1FPR2
SCHEMBL4333914 0.93 MAOB (0.40) MAOBMCHR1KMT2AFPR1FPR2
SCHEMBL4329395 0.93 ALDH1A1 (0.40) MAOBMCHR1KMT2AFPR1FPR2
SCHEMBL4329391 0.93 ALDH1A1 (0.40) MAOBMCHR1KMT2AFPR1FPR2
SCHEMBL4331051 0.91 MAOB (0.40) MAOBPOLBMCHR1KMT2AFPR1
SCHEMBL4331058 0.91 MAOB (0.40) MAOBPOLBMCHR1KMT2AFPR1
SCHEMBL4329273 0.90 WDR5 (0.37) MAOBPOLBMCL1KMT2AFPR1

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 MAOB 2762/4885POLB 3179/4885MCL1 354/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885POLB 3934/4885MCL1 594/4885

“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.