SCHEMBL12829641

SCHEMBL12829641

C/C(=N\NC(=S)Nc1ccc(C=O)cc1)c1nn(C)c(-c2cc(C)cc(C)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
RRM1 P23921 3/20 0.36
RRM2 P31350 3/20 0.36
RRM2B Q7LG56 3/20 0.36
GAA P10253 5/20 0.36
HPGD P15428 2/20 0.36
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12829339 0.89 GAA (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1482950 0.87 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12755612 0.87 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1482949 0.87 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL14224278 0.86 GRM5 (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12829591 0.85 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12830102 0.85 MAOA (0.41) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL12829968 0.85 MAPT (0.39) MAPTALDH1A1LMNAL3MBTL1GAA
SCHEMBL13747809 0.84 BCHE (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12829592 0.84 KDR (0.34) MAPTALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MAPT 3117/4885ALDH1A1 3234/4885KMT2A 3762/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MAPT 2880/4885ALDH1A1 3206/4885KMT2A 3797/4885

“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.