SCHEMBL4331909

SCHEMBL4331909

Cc1cccc(-c2ccc(C=NN(Cc3cccnc3)C(N)=S)o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.43
CYP3A4 P08684 4/20 0.43
MAPT P10636 6/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
LDHA P00338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC9A1 P19634 1/20 0.39
LMNA P02545 4/20 0.37
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2B6 P20813 1/20 0.36

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
SCHEMBL4340661 0.93 CYP2A6 (0.42) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4329428 0.89 CYP2A6 (0.43) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4334594 0.89 MAPT (0.46) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4338798 0.88 CYP2A6 (0.48) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4328924 0.88 SLC9A1 (0.42) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4343237 0.86 SIGMAR1 (0.51) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4333822 0.85 ALDH1A1 (0.50) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4329107 0.84 ALDH1A1 (0.45) CYP2A6CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4324316 0.82 MAPT (0.38) CYP3A4MAPTALDH1A1POLBHPGD
SCHEMBL4557720 0.81 CYP2A6 (0.38) CYP2A6CYP3A4MAPTALDH1A1SMN1; 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CYP2A6 1906/4885CYP3A4 1045/4885MAPT 3619/4885

“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.