Sugi Predict

Sugi Predict / Compounds / SCHEMBL3314622

SCHEMBL3314622

SCHEMBL3314622

O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(CN(CCc2ccccn2)Cc2ccccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.62
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ NFKBIA P25963 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPY1R P25929 2/20 0.40
▸ NPY5R Q15761 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL3313957 0.78 CYP19A1 (0.61) CYP19A1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL3312434 0.76 CXCR3 (0.46) CYP19A1LMNAALDH1A1MEN1KMT2A
SCHEMBL3314918 0.75 CYP19A1 (0.48) CYP19A1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4069164 0.72 CXCR3 (0.49) CYP19A1MEN1KMT2APKM
SCHEMBL4504076 0.71 CYP19A1 (0.83) CYP19A1LMNAALDH1A1MEN1KMT2A
SCHEMBL3389096 0.71 CYP2D6 (0.61) ALDH1A1OPRK1TDP1SMN1; SMN2NPSR1
SCHEMBL4243043 0.71 CXCR3 (0.50) CYP19A1MEN1KMT2A
SCHEMBL22489911 0.71 CYP19A1 (0.73) CYP19A1LMNAALDH1A1MEN1KMT2A
SCHEMBL3539201 0.70 CYP19A1 (0.75) CYP19A1LMNAALDH1A1MEN1KMT2A
SCHEMBL4428290 0.69 ALDH1A1 (0.53) ALDH1A1L3MBTL1MEN1KMT2AOPRK1

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-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 — — US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 — — US disclosed
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 — — US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 — — US disclosed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 — — EP disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 — — 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 CYP19A1 2053/4885LMNA 4549/4885ALDH1A1 1458/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 CYP19A1 3446/4885LMNA 4722/4885ALDH1A1 2412/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 CYP19A1 2362/4885LMNA 4748/4885ALDH1A1 1264/4885

“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.