SCHEMBL4324352

SCHEMBL4324352

Cc1ccc(N2CCN(c3cc(N4CCN(C)CC4)c(C=NNC(N)=S)cc3F)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
ALDH1A1 P00352 10/20 0.50
ALOX12 P18054 5/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 5/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 2/20 0.42
MAOB P27338 1/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38

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
SCHEMBL4324349 1.00 MAPT (0.50) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4451250 0.91 ALDH1A1 (0.50) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4451251 0.91 ALDH1A1 (0.50) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL13887165 0.91 MAOB (0.48) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4327767 0.90 MAPT (0.41) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4327771 0.90 MAPT (0.41) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4330405 0.89 ALDH1A1 (0.46) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4330408 0.89 ALDH1A1 (0.46) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4333263 0.89 ALDH1A1 (0.53) MAPTALDH1A1ALOX12LMNAGAA
SCHEMBL4333258 0.89 ALDH1A1 (0.53) MAPTALDH1A1ALOX12LMNAGAA

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 MAPT 3619/4885ALDH1A1 1459/4885ALOX12 1149/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885ALDH1A1 1173/4885ALOX12 952/4885

“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.