SCHEMBL597397

SCHEMBL597397

CCOC(=O)CCC(=O)c1c[nH]c2c(Br)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8889718 0.81 LMNA (0.56) CLEC4MLMNAALDH1A1HTTMEN1
SCHEMBL4232413 0.81 CLEC4M (0.50) CLEC4MLMNAALDH1A1HTTMEN1
SCHEMBL8959965 0.79 CTNNB1 (0.68) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL597473 0.79 SMN1; SMN2 (0.66) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL21101401 0.77 CLEC4M (0.78) CLEC4MALDH1A1MEN1KMT2AMAPT
SCHEMBL28006568 0.77 TSHR (0.49) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL3567861 0.75 ALOX15 (0.46) LMNAALDH1A1MAPTKDM4E
SCHEMBL3762044 0.73 KDM4E (0.50) LMNAALDH1A1HTTCYP1A2SMN1; SMN2
SCHEMBL17113293 0.73 NR4A2 (0.70) LMNAALDH1A1HTTMAPTKDM4E
SCHEMBL13715402 0.73 BRPF1 (0.67) CLEC4MLMNAALDH1A1HTTMEN1

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
CN-101759628-B Ethynylindole compounds ONO PHARMACEUTICAL CO 2013-02-27 CN disclosed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US disclosed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP disclosed
CN-101759628-A Ethynylindole compounds ONO PHARMACEUTICAL CO 2010-06-30 CN disclosed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 US disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
CN-101128424-A Indole compound and use thereof ONO PHARMACEUTICAL CO (JP) 2008-02-20 CN disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20100160647-A1 ETHYNYLINDOLE COMPOUNDS CYSLTR2, CYSLTR1, LTB4R2 CLEC4M 3909/4885LMNA 4672/4885ALDH1A1 2349/4885
US-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 CLEC4M 2471/4885LMNA 3460/4885ALDH1A1 1805/4885

“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.