SCHEMBL4329432

SCHEMBL4329432

S=C(NCc1cccnc1)NN=Cc1ccc(-c2cccc(Br)c2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.53
MAPT P10636 8/20 0.50
ALDH1A1 P00352 7/20 0.50
POLB P06746 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX12 P18054 1/20 0.50
LDHA P00338 1/20 0.50
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.45
CYP3A4 P08684 3/20 0.44

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
SCHEMBL4329425 1.00 PHGDH (0.53) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4331912 0.89 PHGDH (0.53) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4331905 0.89 PHGDH (0.53) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4334592 0.89 MAPT (0.56) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4334596 0.89 MAPT (0.56) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4326245 0.88 PHGDH (0.67) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4326238 0.88 PHGDH (0.67) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4328921 0.86 CYP2C9 (0.54) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4343232 0.86 KDM4E (0.58) PHGDHMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4328928 0.86 CYP2C9 (0.54) PHGDHMAPTALDH1A1POLBSMN1; SMN2

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 PHGDH 2500/4885MAPT 3619/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PHGDH 2768/4885MAPT 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.