Sugi Predict

Sugi Predict / Compounds / SCHEMBL2218385

SCHEMBL2218385

SCHEMBL2218385

O=C(N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CCR2 P41597 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GRM5 P41594 4/20 0.49
▸ ALOX5 P09917 1/20 0.47
▸ MCHR1 Q99705 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL2218390 1.00 KDM5A (0.56) KDM5AL3MBTL1LMNASMN1; SMN2CCR2
SCHEMBL2220657 0.83 HSD11B1 (0.48) KDM5ACCR2MGLLMCHR1ALDH1A1
SCHEMBL2220665 0.83 HSD11B1 (0.48) KDM5ACCR2MGLLMCHR1ALDH1A1
SCHEMBL2217675 0.82 MGLL (0.48) L3MBTL1LMNASMN1; SMN2CCR2NPC1
SCHEMBL2217669 0.82 MGLL (0.48) L3MBTL1LMNASMN1; SMN2CCR2NPC1
SCHEMBL2218649 0.80 KDM5A (0.57) KDM5AL3MBTL1NPC1RAB9AMEN1
SCHEMBL2218650 0.80 KDM5A (0.57) KDM5AL3MBTL1NPC1RAB9AMEN1
SCHEMBL2219945 0.76 SPR (0.53) L3MBTL1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL2219952 0.76 SPR (0.53) L3MBTL1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL3307385 0.75 KDM5A (0.55) KDM5AL3MBTL1NPC1RAB9AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 — — EP 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

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 4681/4885L3MBTL1 643/4885LMNA 4132/4885

“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.