SCHEMBL4336072

SCHEMBL4336072

NC(=S)NN=Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 3/20 0.62
SPHK2 Q9NRA0 1/20 0.62
SPHK1 Q9NYA1 1/20 0.62
THRB P10828 1/20 0.62
HPGD P15428 1/20 0.62
LMNA P02545 3/20 0.61
POLB P06746 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
GAA P10253 2/20 0.60
GPR55 Q9Y2T6 1/20 0.60
MAOB P27338 1/20 0.56
HTT P42858 1/20 0.54

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
SCHEMBL4336069 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1SPHK2SPHK1
Hydrochloric Acid SCHEMBL19639414 0.86 SPHK2 (0.61) KMT2AMEN1ALDH1A1SPHK2SPHK1
Hydrochloric Acid SCHEMBL19639413 0.86 SPHK2 (0.61) KMT2AMEN1ALDH1A1SPHK2SPHK1
SCHEMBL4333813 0.86 MAPT (0.67) KMT2AMEN1ALDH1A1THRBLMNA
SCHEMBL4331982 0.86 MAPT (0.67) KMT2AMEN1ALDH1A1THRBLMNA
SCHEMBL4330335 0.79 AGXT (0.47) KMT2AMEN1ALDH1A1SPHK2SPHK1
SCHEMBL4330337 0.79 AGXT (0.47) KMT2AMEN1ALDH1A1SPHK2SPHK1
SCHEMBL27660594 0.79 LCK (0.59) KMT2AMEN1ALDH1A1SPHK2SPHK1
SCHEMBL10890571 0.78 MAOB (0.65) KMT2AMEN1ALDH1A1SPHK2SPHK1
SCHEMBL6263881 0.78 MAOB (0.65) KMT2AMEN1ALDH1A1SPHK2SPHK1

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 KMT2A 3988/4885MEN1 4874/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KMT2A 3714/4885MEN1 4872/4885ALDH1A1 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.