SCHEMBL9900429

SCHEMBL9900429

CNc1cc(N2CCC(C(F)(F)F)CC2)c(Cl)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 7/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 2/20 0.32
DRD2 P14416 1/20 0.32
RAD52 P43351 1/20 0.32
PTGES O14684 2/20 0.32
LMNA P02545 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
POLB P06746 1/20 0.31
CCR1 P32246 1/20 0.31
GAA P10253 2/20 0.31
NOTUM Q6P988 1/20 0.31
USP2 O75604 1/20 0.31
SPR P35270 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL9899662 0.95 ALDH1A1 (0.40) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL9900016 0.86 ALDH1A1 (0.43) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL15033694 0.85 ALDH1A1 (0.35) ALDH1A1HTTMAPTDRD3KCNH2
SCHEMBL9899322 0.85 TRPV1 (0.33) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL9899438 0.85 MAP4K4 (0.37) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL9899457 0.84 ALDH1A1 (0.43) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL14217256 0.83 ALDH1A1 (0.57) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL25199801 0.82 ALDH1A1 (0.42) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL31053484 0.82 ALDH1A1 (0.42) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL9899778 0.81 DRD2 (0.36) ALDH1A1HTTMAPTMEN1KMT2A

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 ALDH1A1 140/4885HTT 4371/4885MAPT 4308/4885

“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.