SCHEMBL2077596

SCHEMBL2077596

NNc1ccc(OCCN2CCOCC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK14 Q16539 4/20 0.54
NPC1 O15118 3/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.49
GAA P10253 1/20 0.49
NR2F2 P24468 1/20 0.49
RAD52 P43351 1/20 0.49
LTA4H P09960 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL30402431 0.83 ALDH1A1 (0.60) KDM4EALDH1A1NPC1CA12CA1
SCHEMBL1962706 0.83 ALDH1A1 (0.60) KDM4EALDH1A1NPC1CA12CA1
SCHEMBL1911879 0.81 NPC1 (0.69) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL20522213 0.80 KDM4E (0.60) KDM4EALDH1A1NPC1CA12CA1
SCHEMBL10169462 0.80 ALDH1A1 (0.60) KDM4EALDH1A1NPC1CA12CA1
SCHEMBL538618 0.80 ALDH1A1 (0.60) KDM4EALDH1A1MAPK14NPC1CA12
SCHEMBL2816112 0.78 ALDH1A1 (0.58) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL12840673 0.78 ALDH1A1 (0.54) KDM4EALDH1A1MAPK14NPC1RAB9A
SCHEMBL14224668 0.77 ALDH1A1 (0.56) KDM4EALDH1A1MAPK14NPC1CA12
SCHEMBL23906424 0.77 MEN1 (0.56) KDM4EALDH1A1MAPK14NPC1RAB9A

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-2007773-B1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-2007773-B1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 US disclosed
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 US disclosed
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 US disclosed
EP-2007773-A1 THIAZOLYL DIHYDRO-INDAZOLES Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
WO-2007113245-A1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 WO disclosed
WO-2007113245-A1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (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-20070270401-A1 Thiazolyl-Dihydro-Indazole MKI67, INSR, CCNT1 KDM4E 3502/4885ALDH1A1 44/4885MAPK14 2734/4885

“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.