SCHEMBL5058846

SCHEMBL5058846

CCOC(=O)CN1N=C(c2ccc(OC)cc2)CC1c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ PPARG P37231 2/20 0.55
▸ NCOA2 Q15596 2/20 0.55
▸ NCOA1 Q15788 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ NCOA3 Q9Y6Q9 1/20 0.55
▸ CACNA1H O95180 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51

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
SCHEMBL16088363 0.81 MAOA (0.53) L3MBTL1KDM4EMAOAMAOB
SCHEMBL5058844 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL25122626 0.77 RNF114 (0.83) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL23052421 0.73 NPC1 (0.72) L3MBTL1ALDH1A1MAPTKDM4EHPGD
SCHEMBL14541214 0.72 MEN1 (0.76) ALDH1A1MAPTGAAPPARGNCOA2
SCHEMBL25274761 0.72 KIF11 (0.53) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL26508543 0.71 KDM4E (0.52) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL23052578 0.69 MAPT (0.85) L3MBTL1ALDH1A1MAPTKDM4EHPGD
SCHEMBL11119541 0.69 PDE5A (0.91) L3MBTL1ALDH1A1MAPTKDM4EPOLB
SCHEMBL11121205 0.69 PDE5A (0.91) L3MBTL1ALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 — — US disclosed
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 — — US disclosed
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 — — US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 — — US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 — — US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 — — US disclosed
EP-1844043-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2007-10-17 — — EP disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 — — US disclosed
WO-2006055708-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 — — WO disclosed
EP-1628970-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes of Pharmaceutical Discovery, LLC (US) 2006-03-01 — — EP disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 — — US disclosed
WO-2004099192-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES OF PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 — — 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 (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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ L3MBTL1 4170/4885ALDH1A1 287/4885MAPT 2268/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ L3MBTL1 4170/4885ALDH1A1 287/4885MAPT 2268/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ L3MBTL1 4170/4885ALDH1A1 287/4885MAPT 2268/4885

“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.

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