SCHEMBL3106264

SCHEMBL3106264

Cn1c(Nc2cc(CNC3(C)CCCCC3)ccc2Cl)nc2cc(S(=O)(=O)NC3CCCC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGES O14684 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.36
PARG Q86W56 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL3106258 0.88 PTGES (0.44) LMNAALDH1A1HPGDTSHRTP53
SCHEMBL3104364 0.87 PTAFR (0.41) LMNAALDH1A1TSHRTP53PKM
SCHEMBL15380429 0.79 PTGES (0.45) LMNATP53PTGES
SCHEMBL24626138 0.78 PTGES (0.48) LMNAALDH1A1HPGDTSHRPTGES
SCHEMBL3094937 0.78 PTGES (0.41) PTGES
SCHEMBL16192919 0.77 PTGES (0.44) PTGES
SCHEMBL3094243 0.77 IDH1 (0.44) ALDH1A1HPGDPTGESSMN1; SMN2CNR2
SCHEMBL3104356 0.76 PTGES (0.43) LMNAALDH1A1TSHRTP53PKM
SCHEMBL15380913 0.76 KMT2A (0.46) ALDH1A1HPGDPTGESSMN1; SMN2PDK1
SCHEMBL15380924 0.75 HDAC6 (0.42) LMNAALDH1A1TP53PTGESSMN1; SMN2

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 LMNA 1740/4885ALDH1A1 1761/4885HPGD 2331/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX LMNA 1740/4885ALDH1A1 1761/4885HPGD 2331/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX LMNA 1740/4885ALDH1A1 1761/4885HPGD 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.