Sugi Predict

Sugi Predict / Compounds / SCHEMBL4243641

SCHEMBL4243641

SCHEMBL4243641

O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2cnccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.74
▸ DHODH Q02127 4/20 0.74
▸ KMT2A Q03164 5/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ GAA P10253 4/20 0.67
▸ POLB P06746 4/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ MC4R P32245 1/20 0.67
▸ PPARG P37231 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ NCOR2 Q9Y618 1/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ MAPT P10636 7/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ HPGD P15428 4/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58

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
SCHEMBL4255362 0.92 TP53 (0.72) TP53DHODHKMT2AKDM4EGAA
SCHEMBL3228525 0.85 TP53 (1.00) TP53DHODHKMT2AKDM4EGAA
SCHEMBL4249057 0.85 KDM4E (0.68) TP53DHODHKMT2AKDM4EGAA
SCHEMBL4247431 0.81 ADORA2A (0.50) TP53DHODHKMT2AKDM4EGAA
SCHEMBL4248547 0.79 KDM4E (0.72) TP53DHODHKDM4EGAAPOLB
SCHEMBL3222932 0.78 TP53 (0.86) TP53DHODHKMT2AKDM4EGAA
SCHEMBL13460458 0.78 DHODH (0.61) TP53DHODHKDM4EGAAPOLB
SCHEMBL13460440 0.78 DHODH (0.65) TP53DHODHKDM4EGAAPOLB
SCHEMBL4245179 0.78 TP53 (0.72) TP53DHODHKMT2AKDM4EGAA
SCHEMBL19537433 0.77 TP53 (0.76) TP53DHODHKMT2AKDM4EGAA

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-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-20050171141-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-08-04 — — US disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 — — 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-20050171141-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 TP53 4506/4885DHODH 3465/4885KMT2A 2801/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 TP53 4506/4885DHODH 3465/4885KMT2A 2801/4885

“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.