Sugi Predict

Sugi Predict / Compounds / SCHEMBL5502680

SCHEMBL5502680

SCHEMBL5502680

O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SLC6A5 Q9Y345 2/20 0.46
▸ SLC6A9 P48067 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ WDR5 P61964 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5506556 0.85 ALDH1A1 (0.53) HTTALDH1A1POLBKMT2ASLC6A5
SCHEMBL5504006 0.83 ALDH1A1 (0.56) HTTALDH1A1POLBKMT2ASLC6A5
SCHEMBL5509141 0.82 WDR5 (0.56) HTTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL5509076 0.82 ALDH1A1 (0.60) HTTALDH1A1POLBKMT2ASLC6A5
SCHEMBL5508373 0.81 WDR5 (0.52) HTTALDH1A1POLBKMT2ASLC6A5
SCHEMBL5503051 0.79 ALDH1A1 (0.52) HTTALDH1A1POLBKMT2ASLC6A5
SCHEMBL5506503 0.78 PDGFRB (0.62) HTTALDH1A1POLBKMT2ANPC1
SCHEMBL5509112 0.77 L3MBTL1 (0.56) HTTALDH1A1POLBKMT2ASLC6A5
SCHEMBL10121412 0.77 KMT2A (0.51) HTTALDH1A1POLBKMT2ANPC1
SCHEMBL5502954 0.77 ALDH1A1 (0.56) HTTALDH1A1POLBKMT2ASLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-03 — — US disclosed
US-8114999-B2 Aminocarbonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 — — US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2010-02-25 — — US disclosed
US-7501417-B2 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — 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 (3 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HTT 327/4885ALDH1A1 796/4885POLB 488/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HTT 2128/4885ALDH1A1 1173/4885POLB 426/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HTT 2128/4885ALDH1A1 1173/4885POLB 426/4885

“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.