SCHEMBL4338974

SCHEMBL4338974

CN(C)CC/C(=N\N(CC1CCCO1)C(N)=S)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
OXTR P30559 1/20 0.39
SLC9A1 P19634 2/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL4338967 0.81 HTT (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4338981 0.81 HTT (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4460428 0.81 SLC9A1 (0.47) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4323034 0.80 SLC9A1 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4329481 0.77 KDM4E (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4335877 0.77 LMNA (0.40) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4460430 0.71 MAPT (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13611608 0.71 MAPT (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1218954 0.67 SLC9A1 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4332806 0.66 POLB (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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 1459/4885RAB9A 2667/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885ALDH1A1 1173/4885RAB9A 2447/4885

“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.