SCHEMBL3204774

SCHEMBL3204774

O=C(NCc1cccnc1)c1cc[c]cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
ALDH1A1 P00352 3/20 0.67
HTT P42858 3/20 0.67
MAPT P10636 1/20 0.67
GAA P10253 1/20 0.65
CA2 P00918 1/20 0.64
MAPK1 P28482 1/20 0.62
NAMPT P43490 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MMP13 P45452 1/20 0.61
TRPV1 Q8NER1 1/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
TSHR P16473 2/20 0.60
RECQL P46063 1/20 0.59

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
SCHEMBL1161997 0.86 NAMPT (0.75) LMNAALDH1A1HTTMAPTGAA
SCHEMBL1568226 0.86 ALDH1A1 (0.72) LMNAALDH1A1HTTMAPTGAA
SCHEMBL14797299 0.86 HDAC2 (0.64) MAPTGAANAMPTMEN1KMT2A
SCHEMBL5607689 0.85 TSHR (0.70) LMNAALDH1A1HTTMAPTGAA
SCHEMBL7953890 0.85 HTT (0.59) LMNAALDH1A1HTTMAPTGAA
SCHEMBL4627901 0.85 ALDH1A1 (0.59) LMNAALDH1A1HTTMAPTGAA
SCHEMBL7082686 0.84 TSHR (0.73) LMNAALDH1A1HTTMAPTGAA
SCHEMBL5257811 0.84 LMNA (0.72) LMNAALDH1A1HTTMAPTGAA
SCHEMBL6569317 0.84 LMNA (0.72) LMNAALDH1A1HTTMAPTGAA
SCHEMBL1047604 0.82 CA2 (0.71) LMNAALDH1A1HTTMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP disclosed
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives TEIJIN PHARMA LIMITED 2006-06-22 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 (2 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-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 LMNA 2768/4885ALDH1A1 732/4885HTT 3167/4885
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 LMNA 3950/4885ALDH1A1 2845/4885HTT 4804/4885

“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.