SCHEMBL12112072

SCHEMBL12112072

CCOCCOCCOCCCNC(=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 3/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL10085309 0.96 TSHR (0.57) TSHRKMT2AMEN1HPGDKDM4E
SCHEMBL13668152 0.93 KMT2A (0.57) TSHRKMT2AMEN1HPGDKDM4E
SCHEMBL10141271 0.91 TSHR (0.51) TSHRKMT2AMEN1HPGDKDM4E
SCHEMBL23442445 0.89 TSHR (0.50) TSHRKMT2AMEN1HPGDKDM4E
SCHEMBL22150373 0.89 KMT2A (0.63) TSHRKMT2AMEN1HPGDKDM4E
SCHEMBL22150202 0.89 KMT2A (0.63) TSHRKMT2AMEN1HPGDKDM4E
SCHEMBL12543137 0.87 MAPT (0.48) TSHRKMT2AMEN1HPGDKDM4E
SCHEMBL12543410 0.87 MAPT (0.55) TSHRKMT2AMEN1HPGDALDH1A1
SCHEMBL24607334 0.86 MAPT (0.50) TSHRKMT2AMEN1MAPTHSD17B10
SCHEMBL12189911 0.86 KMT2A (0.50) TSHRKMT2AMEN1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
EP-2982668-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Pharmacyclics LLC (US) 2016-02-10 EP disclosed
US-9162986-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS LLC (US) 2015-10-20 US disclosed
EP-1569912-B1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS INC (US) 2015-04-29 EP disclosed
US-20140378453-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS LLC 2014-12-25 US disclosed
US-8778625-B2 2-(2-hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
US-8299110-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIa inhibitors PHARMACYCLICS, INC. (US) 2012-10-30 US disclosed
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS, INC. (US) 2011-11-03 US disclosed
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYLICS, INC. A DELAWARE CORPORATION (US) 2009-02-26 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 (4 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-20140378453-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 TSHR 2584/4885KMT2A 1024/4885MEN1 2580/4885
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 TSHR 2584/4885KMT2A 1024/4885MEN1 2580/4885
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors F13B, HABP2, F7 TSHR 2584/4885KMT2A 1024/4885MEN1 2580/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TSHR 3319/4885KMT2A 445/4885MEN1 4055/4885

“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.