SCHEMBL4331982

SCHEMBL4331982

NC(=S)NN=Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
CYP1A2 P05177 2/20 0.67
THRB P10828 1/20 0.67
CYP2C9 P11712 1/20 0.67
RECQL P46063 1/20 0.67
GAA P10253 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP2C19 P33261 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
RAB9A P51151 2/20 0.62
EGFR P00533 1/20 0.62
LMNA P02545 1/20 0.61
NPC1 O15118 1/20 0.61

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
SCHEMBL4333813 1.00 MAPT (0.67) MAPTCYP1A2THRBCYP2C9RECQL
SCHEMBL4336069 0.86 KMT2A (0.62) MAPTCYP1A2THRBCYP2C9GAA
SCHEMBL4336072 0.86 KMT2A (0.62) MAPTCYP1A2THRBCYP2C9GAA
SCHEMBL18251633 0.83 CYP1A2 (0.67) MAPTCYP1A2THRBCYP2C9RECQL
Hydrochloric Acid SCHEMBL18246065 0.82 CYP1A2 (0.65) MAPTCYP1A2THRBCYP2C9RECQL
Hydrochloric Acid SCHEMBL18246066 0.82 CYP1A2 (0.65) MAPTCYP1A2THRBCYP2C9RECQL
SCHEMBL402672 0.81 KDM4E (0.69) GAAKDM4ERAB9ALMNANPC1
SCHEMBL402673 0.81 KDM4E (0.69) GAAKDM4ERAB9ALMNANPC1
SCHEMBL13611404 0.81 KDM4E (0.69) ALDH1A1KDM4ELMNA
SCHEMBL8421121 0.81 CYP1A2 (0.75) MAPTCYP1A2THRBCYP2C9RECQL

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 3619/4885CYP1A2 2186/4885THRB 1492/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885CYP1A2 2066/4885THRB 1866/4885

“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.