SCHEMBL16669554

SCHEMBL16669554

O=C(O[C@H]1CC[C@@H](c2ccc(Br)cc2)CC1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KAT6A Q92794 1/20 0.38
PTPN2 P17706 4/20 0.38
PTPN1 P18031 4/20 0.38
PTPRF P10586 2/20 0.38
PTPN6 P29350 1/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16669555 1.00 KMT2A (0.41) KMT2AALDH1A1LMNAHPGDKDM4E
SCHEMBL7993233 0.84 CES2 (0.50) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL27500253 0.78 KMT2A (0.50) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL7408465 0.77 KMT2A (0.47) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL28239805 0.75 HTR1A (0.50) KMT2AALDH1A1LMNAKDM4EPTPN2
SCHEMBL208341 0.73 TSHR (0.53) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL16552873 0.72 CES2 (0.53) KMT2AALDH1A1LMNAHPGDKDM4E
SCHEMBL22545632 0.69 MEN1 (0.58) KMT2ALMNAMAPTMEN1SCN1A
SCHEMBL9180186 0.69 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPTPN2PTPN1
SCHEMBL28817109 0.69 SLC6A3 (0.58) KMT2AALDH1A1LMNAMEN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3063148-A1 AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2016-09-07 EP disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
WO-2015063011-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 WO disclosed
WO-2015063011-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 WO disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 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-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES PRKAR2B, PRKAB2, PRKAB1 KMT2A 1372/4885ALDH1A1 1229/4885LMNA 3960/4885

“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.