SCHEMBL2901718

SCHEMBL2901718

CCCC(=O)OOc1ccccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALOX5 P09917 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL25437240 0.87 ELANE (0.35) MEN1KMT2AALOX15TSHRCYP4F2
SCHEMBL6353496 0.84 KDM4E (0.49) MEN1KMT2AKDM4ERECQLALOX15
SCHEMBL27602868 0.82 ALOX15 (0.36) ALOX15MAPTSMN1; SMN2
SCHEMBL28008246 0.82 HPGD (0.44) KDM4ETSHRTP53L3MBTL1SMN1; SMN2
SCHEMBL10975745 0.81 MEN1 (0.39) MEN1KMT2AKDM4ERECQLL3MBTL1
SCHEMBL9407039 0.80 L3MBTL1 (0.39) MEN1KMT2AKDM4ETSHRMTNR1B
SCHEMBL27345094 0.79 AOC2 (0.43) MEN1KMT2AKDM4ERECQLTSHR
SCHEMBL10975220 0.78 PTGDR2 (0.47) MEN1KMT2AKDM4ERECQLALDH1A1
SCHEMBL27602777 0.78 ALDH1A1 (0.48) MEN1KMT2AKDM4ERECQLTSHR
SCHEMBL11666699 0.76 KDM4E (0.45) MEN1KMT2AKDM4ERECQLALOX15

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
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161689-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2007-07-12 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050277685-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2005-12-15 US disclosed
EP-1537078-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2005-06-08 EP disclosed
WO-2004020409-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 WO disclosed
WO-2004020408-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 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-20050277685-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG MEN1 4843/4885KMT2A 904/4885KDM4E 2186/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG MEN1 4843/4885KMT2A 904/4885KDM4E 2186/4885

“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.