Sugi Predict

Sugi Predict / Compounds / SCHEMBL2218649

SCHEMBL2218649

SCHEMBL2218649

COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.57
▸ KMT2A Q03164 8/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ ALOX5 P09917 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL2218650 1.00 KDM5A (0.57) KDM5AKMT2AMEN1ALDH1A1ALOX5
SCHEMBL2216185 0.87 GFER (0.57) KMT2AALDH1A1ALOX5L3MBTL1MAPT
SCHEMBL2216188 0.87 GFER (0.57) KMT2AALDH1A1ALOX5L3MBTL1MAPT
SCHEMBL2217633 0.81 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1ALOX5L3MBTL1
SCHEMBL2217629 0.81 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1ALOX5L3MBTL1
SCHEMBL2219414 0.81 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1ALOX5L3MBTL1
SCHEMBL2218390 0.80 KDM5A (0.56) KDM5AKMT2AMEN1ALDH1A1ALOX5
SCHEMBL2218385 0.80 KDM5A (0.56) KDM5AKMT2AMEN1ALDH1A1ALOX5
SCHEMBL2220665 0.79 HSD11B1 (0.48) KDM5AALDH1A1MAPT
SCHEMBL2220657 0.79 HSD11B1 (0.48) KDM5AALDH1A1MAPT

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
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 — — CN disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
CN-102105470-B Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2014-06-04 — — CN disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 — — EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 — — 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 (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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 KDM5A 4681/4885KMT2A 4781/4885MEN1 3685/4885

“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.