Sugi Predict

Sugi Predict / Compounds / SCHEMBL976960

SCHEMBL976960

SCHEMBL976960

O=C(NO)c1cnc(-c2ccccc2)nc1-c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ LMNA P02545 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ DPP4 P27487 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.45
▸ ATR Q13535 1/20 0.43
▸ HPGDS O60760 2/20 0.42

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
SCHEMBL976971 0.87 MEN1 (0.74) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL976186 0.81 MEN1 (0.65) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL22573458 0.73 ATR (0.64) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL22573436 0.73 MEN1 (0.59) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL31324955 0.72 KMO (0.48) MEN1KMT2AMAPTSMN1; SMN2HPGDS
SCHEMBL6016478 0.72 MEN1 (0.69) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL31367007 0.72 MAPK14 (0.47) KMT2ASMN1; SMN2L3MBTL1DPP4ATM
SCHEMBL1971235 0.71 KMO (0.47) HPGDSPTGDR2
SCHEMBL22573442 0.71 MAP4K4 (0.51) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22573742 0.71 MEN1 (0.48) MEN1KMT2AMAPTHPGDSHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — WO 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885KMT2A 60/4885LMNA 357/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885KMT2A 60/4885LMNA 357/4885

“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.