SCHEMBL15052822

SCHEMBL15052822

COc1cc([CH]C(N)=O)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NFE2L2 Q16236 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ APP P05067 1/20 0.44
▸ CA2 P00918 2/20 0.43
▸ APOBEC3A P31941 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL15210442 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1TDP1HPGDGAA
SCHEMBL5775169 0.85 ALDH1A1 (0.62) ALDH1A1MAPK1TDP1HPGDGAA
SCHEMBL3465092 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1TDP1HPGDGAA
SCHEMBL1159623 0.78 ALDH1A1 (0.68) ALDH1A1MAPK1TDP1HPGDSMN1; SMN2
SCHEMBL30853135 0.77 KDM4E (0.73) ALDH1A1MAPK1HPGDGAAKDM4E
SCHEMBL731055 0.77 KDM4E (0.73) ALDH1A1MAPK1HPGDGAAKDM4E
SCHEMBL731054 0.77 KDM4E (0.73) ALDH1A1MAPK1HPGDGAAKDM4E
SCHEMBL2692692 0.77 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1SMN1; SMN2KMT2A
SCHEMBL29130913 0.76 TUBB1 (0.47) ALDH1A1TDP1HPGDSMN1; SMN2TSHR
SCHEMBL30290009 0.76 EPHX2 (0.70) ALDH1A1MAPK1TDP1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794587-B1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-03-16 — — EP disclosed
EP-2794587-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2014-10-29 — — EP disclosed
US-8765959-B2 Piperidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 — — US disclosed
WO-2013092976-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — US 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-20130165444-A1 Piperidine Derivatives PPARD, FABP4, PLIN5 ALDH1A1 621/4885MAPK1 3516/4885TDP1 3473/4885

“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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