SCHEMBL3034740

SCHEMBL3034740

O=C(NCC1CCCO1)c1cc[c]cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.81
MEN1 O00255 1/20 0.81
HPGD P15428 13/20 0.74
SMN1; SMN2 Q16637 5/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
NPC1 O15118 1/20 0.66
TSHR P16473 2/20 0.62
TAAR1 Q96RJ0 1/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
CYP1A2 P05177 2/20 0.61
GAA P10253 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 1/20 0.59
ATM Q13315 1/20 0.59
PTPN1 P18031 1/20 0.58

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
SCHEMBL743611 0.85 HPGD (1.00) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL29687327 0.85 HPGD (1.00) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL30678539 0.85 HPGD (1.00) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL6570578 0.84 KMT2A (0.88) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL763451 0.83 KMT2A (0.86) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL279957 0.83 KMT2A (0.86) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL11918653 0.83 KMT2A (0.86) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL7447564 0.82 KMT2A (0.83) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL15947382 0.81 KMT2A (0.77) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL3408099 0.81 KMT2A (0.81) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1

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 9 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 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 (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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF KMT2A 2325/4885MEN1 829/4885HPGD 1183/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 KMT2A 1420/4885MEN1 3301/4885HPGD 2620/4885
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 KMT2A 1266/4885MEN1 1494/4885HPGD 1424/4885

“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.