SCHEMBL4331454

SCHEMBL4331454

Cc1ccccc1N1CCN(c2cc(N3CC[C@@H](N(C)C)C3)c(C=NNC(N)=S)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
ALOX12 P18054 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MYC P01106 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KMT2A Q03164 4/20 0.35
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPY5R Q15761 1/20 0.35
GAA P10253 6/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL4331451 1.00 MAOB (0.40) MAOBMAPTALDH1A1ALOX12TDP1
SCHEMBL4455324 0.93 KDM4E (0.41) MAOBMAPTALDH1A1ALOX12TDP1
SCHEMBL4455321 0.93 KDM4E (0.41) MAOBMAPTALDH1A1ALOX12TDP1
SCHEMBL4327449 0.93 MAOB (0.44) MAOBMAPTALDH1A1MYCPIM1
SCHEMBL4327443 0.93 MAOB (0.44) MAOBMAPTALDH1A1MYCPIM1
SCHEMBL4330711 0.91 MAOB (0.40) MAOBMAPTALDH1A1ALOX12MYC
SCHEMBL4330708 0.91 MAOB (0.40) MAOBMAPTALDH1A1ALOX12MYC
SCHEMBL4329122 0.91 ALDH1A1 (0.37) MAOBMAPTALDH1A1ALOX12TDP1
SCHEMBL4329127 0.91 ALDH1A1 (0.37) MAOBMAPTALDH1A1ALOX12TDP1
SCHEMBL4331695 0.90 MAOB (0.41) MAOBMAPTALDH1A1ALOX12TDP1

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 2762/4885MAPT 3619/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885MAPT 3876/4885ALDH1A1 1173/4885

“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.