SCHEMBL3829426

SCHEMBL3829426

O=C(O)NCc1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ HDAC8 Q9BY41 9/20 0.58
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ MAPT P10636 5/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ SMPD1 P17405 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PTGS2 P35354 1/20 0.48

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
SCHEMBL12473336 0.77 HDAC8 (0.57) POLBHTTHDAC8HDAC1HDAC2
SCHEMBL8899318 0.76 NOTUM (0.68) POLBHTTKMT2AALOX12MAPT
SCHEMBL19836145 0.75 MAPK14 (0.55) POLBHDAC8KMT2AMAPTMEN1
SCHEMBL17383550 0.74 MAPT (0.56) POLBHTTKMT2AALOX12MAPT
SCHEMBL2640766 0.74 ALDH1A1 (0.70) POLBHTTKMT2AALOX12MAPT
Trifluoroacetic Acid SCHEMBL3823846 0.73 NOTUM (0.55) POLBHTTHDAC8KMT2AALOX12
SCHEMBL24987981 0.73 SMN1; SMN2 (0.76) POLBKMT2AALOX12MAPTL3MBTL1
Hydrochloric Acid SCHEMBL17377397 0.73 MAPT (0.55) POLBHTTKMT2AALOX12MAPT
SCHEMBL25914400 0.73 MAOB (0.53) POLBHTTKMT2AALOX12MAPT
SCHEMBL14438048 0.73 KMT2A (0.62) POLBHTTKMT2AALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 — — EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 — — 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 (1 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 POLB 2667/4885HTT 4408/4885HDAC8 1211/4885

“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.

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