SCHEMBL2392882

SCHEMBL2392882

CC(C)(N)CNC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.44
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA2 P00918 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL8071669 0.81 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL7336172 0.81 CA1 (0.38) ALDH1A1POLBSMN1; SMN2CA2CA14
SCHEMBL14040904 0.81 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9497821 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10309174 0.78 SMN1; SMN2 (0.45) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL19642846 0.77 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL18334473 0.76 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28307781 0.76 MEN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL9497704 0.76 CFTR (0.31)
SCHEMBL12335918 0.76 RIPK1 (0.46) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
CN-1224614-C Indolin-2-one derivatives, process for their preparation and their use as oxytocin receptor ligands SANOFI ANWANTE (FR) 2005-10-26 CN disclosed
CN-1427825-A Indolin-2-one derivatives, preparation and their use as ocytocin receptor ligands SANOFI SYNTHELABO (FR) 2003-07-02 CN 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ALDH1A1 1552/4885POLB 4339/4885SMN1; SMN2 3828/4885

“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.