SCHEMBL9899367

SCHEMBL9899367

Nc1cc(Cl)c(N2CCC[C@@H]2CO)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PBRM1 Q86U86 1/20 0.38
TYMP P19971 1/20 0.37
CUL4A Q13619 1/20 0.36
CHUK O15111 2/20 0.36
SOS1 Q07889 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CDK1 P06493 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL9899369 1.00 NR1I2 (0.38) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL15033783 0.89 SOS1 (0.40) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL16181889 0.88 TYMP (0.36) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL14217231 0.84 NR1I2 (0.35) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL9899724 0.83 MAPT (0.57) TYMPCUL4AKDM4EPOLBL3MBTL1
SCHEMBL9899723 0.83 MAPT (0.57) TYMPCUL4AKDM4EPOLBL3MBTL1
SCHEMBL9899616 0.81 OPRK1 (0.39) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL2938484 0.78 MAP2K7 (0.42) TYMPCUL4ASOS1KDM4EGAA
SCHEMBL359524 0.75 KDM4E (0.50) TYMPCUL4AIRAK4KDM4EGAA
SCHEMBL3435705 0.75 NR1I2 (0.44) NR1I2SMARCA2SMARCA4NR1H2NR1H3

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-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES NR1I2 88/4885SMARCA2 3521/4885SMARCA4 3585/4885

“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.