Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042288

SCHEMBL4042288

SCHEMBL4042288

C/C(=C1\SC(=O)NC1=O)c1ccc(OCCCOc2c(-c3ccc(F)cc3)n(C)c3ccccc3c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTR5A P47898 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KCNA3 P22001 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CISD1 Q9NZ45 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL4042290 1.00 KDM4E (0.36) KDM4EALDH1A1HPGDHTR5ABRD4
SCHEMBL4036673 0.98 KDM4E (0.36) KDM4EALDH1A1HPGDHTR5ABRD4
SCHEMBL5045164 0.98 KDM4E (0.36) KDM4EALDH1A1HPGDHTR5ABRD4
SCHEMBL5039545 0.91 BRD4 (0.36) KDM4EALDH1A1HPGDBRD4KCNA3
SCHEMBL5039547 0.91 BRD4 (0.36) KDM4EALDH1A1HPGDBRD4KCNA3
SCHEMBL5048740 0.90 KMT2A (0.37) KDM4EALDH1A1HPGDHTR5APOLB
SCHEMBL14011638 0.90 ALDH1A1 (0.36) KDM4EALDH1A1HPGDPOLBHDAC4
SCHEMBL5048738 0.90 KMT2A (0.37) KDM4EALDH1A1HPGDHTR5APOLB
SCHEMBL14011637 0.90 MAPT (0.34) KDM4EALDH1A1HPGDBRD4KCNA3
SCHEMBL14011669 0.89 ATM (0.32) HDAC4

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
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 — — EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 — — US disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 — — US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 — — EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 — — US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 — — 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 KDM4E 1840/4885ALDH1A1 1460/4885HPGD 49/4885

“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.