SCHEMBL4336882

SCHEMBL4336882

CN(C)c1ccc(/C=N/NC(N)=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 1.00
KDM4E B2RXH2 3/20 0.73
MAPT P10636 2/20 0.69
NPC1 O15118 2/20 0.69
GAA P10253 2/20 0.69
RAB9A P51151 2/20 0.69
GLA P06280 1/20 0.69
MAPK1 P28482 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
ALDH1A1 P00352 3/20 0.68
LMNA P02545 3/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP1A2 P05177 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL4336886 1.00 MAOA (1.00) MAOAKDM4EMAPTNPC1GAA
SCHEMBL27999265 0.95 MAOA (0.91) MAOAKDM4EMAPTNPC1GAA
SCHEMBL28868030 0.86 KDM4E (1.00) MAOAKDM4EMAPTALDH1A1LMNA
SCHEMBL7747536 0.83 MAOA (0.71) MAOAKDM4EMAPTNPC1GAA
SCHEMBL13381428 0.83 MAOA (0.71) MAOAKDM4EMAPTNPC1GAA
SCHEMBL7747538 0.83 MAOA (0.71) MAOAKDM4EMAPTNPC1GAA
SCHEMBL13673671 0.82 MAOA (0.69) MAOAKDM4EMAPTNPC1GAA
SCHEMBL13381432 0.82 MAPT (1.00) MAOAKDM4EMAPTNPC1GAA
SCHEMBL13381421 0.81 MAOA (0.68) MAOAKDM4EMAPTNPC1GAA
SCHEMBL5614884 0.81 KDM4E (0.81) MAOAKDM4EMAPTNPC1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX MAOA 104/4885KDM4E 2274/4885MAPT 3791/4885
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOA 4418/4885KDM4E 3010/4885MAPT 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.