SCHEMBL4333786

SCHEMBL4333786

NC(=S)N(Cc1cccnc1)N=Cc1ccc(-c2cc(F)ccc2F)o1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
NR1D1 P20393 2/20 0.37
NR1H3 Q13133 1/20 0.37
CYP3A4 P08684 5/20 0.36
CYP2A6 P11509 3/20 0.36
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 1/20 0.33
APAF1 O14727 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4344682 0.84 MAPT (0.42) CYP3A4CYP2A6POLBLMNAPKM
SCHEMBL4336312 0.84 ALDH1A1 (0.51) SLC9A1CYP3A4CYP2A6LMNAALDH1A1
SCHEMBL4329325 0.83 SLC9A1 (0.36) SLC9A1LMNAALDH1A1NPSR1KMT2A
SCHEMBL4338180 0.82 CYP2A6 (0.38) CYP3A4CYP2A6POLBALDH1A1MAPT
SCHEMBL4557720 0.82 CYP2A6 (0.38) CYP3A4CYP2A6POLBALDH1A1MAPT
SCHEMBL4323303 0.82 KDM4E (0.42) CYP3A4CYP2A6POLBLMNAPKM
SCHEMBL4338798 0.82 CYP2A6 (0.48) CYP3A4CYP2A6POLBTP53LMNA
SCHEMBL4329107 0.81 ALDH1A1 (0.45) CYP3A4CYP2A6POLBLMNAPKM
SCHEMBL4334594 0.81 MAPT (0.46) SLC9A1CYP3A4CYP2A6POLBTP53
SCHEMBL4340661 0.80 CYP2A6 (0.42) SLC9A1CYP3A4CYP2A6POLBLMNA

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 SLC9A1 1915/4885NR1D1 924/4885NR1H3 1129/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 SLC9A1 1542/4885NR1D1 900/4885NR1H3 1262/4885

“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.