SCHEMBL3094243

SCHEMBL3094243

Cn1c(Nc2cc(CNC3(C)CCCCC3)ccc2Cl)nc2cc(C(=O)N3CCCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.44
PTGES O14684 1/20 0.42
HPGD P15428 14/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ADORA2A P29274 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3094236 0.89 PTGES (0.45) IDH1PTGESHPGDSMN1; SMN2MEN1
SCHEMBL15380924 0.87 HDAC6 (0.42) PTGESSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15380429 0.86 PTGES (0.45) PTGES
SCHEMBL15380913 0.82 KMT2A (0.46) PTGESHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL16192919 0.82 PTGES (0.44) PTGESMEN1KMT2A
SCHEMBL3106184 0.82 MTOR (0.40) HPGDSMN1; SMN2ALDH1A1
SCHEMBL3108313 0.79 PTGES (0.43) PTGESMEN1KMT2AALDH1A1
SCHEMBL3094937 0.79 PTGES (0.41) PTGES
SCHEMBL11894984 0.79 PTGES (0.47) PTGESMEN1KMT2ACNR1CNR2
SCHEMBL3100803 0.77 PTGES (0.54) PTGESHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX IDH1 4746/4885PTGES 307/4885HPGD 2331/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX IDH1 4746/4885PTGES 307/4885HPGD 2331/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX IDH1 4746/4885PTGES 307/4885HPGD 2331/4885

“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.