SCHEMBL2086953

SCHEMBL2086953

N#CC(=Cc1cn(CC(=O)O)c2ccccc12)C(=O)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
PTGDR2 Q9Y5Y4 9/20 0.75
KDM4E B2RXH2 2/20 0.75
ALDH1A1 P00352 2/20 0.75
MAPT P10636 1/20 0.75
GAA P10253 1/20 0.68
PKM P14618 1/20 0.67
USP2 O75604 1/20 0.60
POLB P06746 1/20 0.60
APP P05067 1/20 0.60
SNCA P37840 1/20 0.60
PLIN1 O60240 1/20 0.58
LMNA P02545 1/20 0.58
PLIN5 Q00G26 1/20 0.58
ABHD5 Q8WTS1 1/20 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
SCHEMBL2086952 1.00 MEN1 (1.00) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL5528242 0.93 MEN1 (0.86) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2087668 0.93 KMT2A (0.86) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL5528239 0.93 MEN1 (0.86) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2089256 0.91 KMT2A (0.83) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2088740 0.91 MEN1 (0.83) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2088739 0.91 MEN1 (0.83) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2088135 0.90 MEN1 (0.82) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2088267 0.90 MEN1 (0.82) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2088137 0.90 MEN1 (0.82) MEN1KMT2APTGDR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US claimed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP claimed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US claimed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US disclosed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT MEN1 2045/4885KMT2A 1575/4885PTGDR2 2853/4885

“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.