SCHEMBL4322201

SCHEMBL4322201

NC(=S)NN=Cc1cc(F)c(N2CCN(Cc3ccccc3Cl)CC2)cc1N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
PLA2G1B P04054 1/20 0.46
RAB9A P51151 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 3/20 0.43
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
NPY2R P49146 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PHGDH O43175 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL4322198 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4338784 0.99 ALDH1A1 (0.45) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4338788 0.99 ALDH1A1 (0.45) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4343256 0.99 ALDH1A1 (0.45) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4343260 0.99 ALDH1A1 (0.45) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4343187 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4343182 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4330358 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4330356 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL4325081 0.89 MAPT (0.43) ALDH1A1KDM4EPLA2G1BRAB9AATG4B

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 ALDH1A1 1459/4885KDM4E 3010/4885PLA2G1B 4146/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885KDM4E 2338/4885PLA2G1B 3881/4885

“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.