SCHEMBL5357375

SCHEMBL5357375

O=C1c2cccc3cccc(c23)C(=O)N1CCCCCBr

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 6/20 0.69
HEXB P07686 6/20 0.69
SIRT1 Q96EB6 3/20 0.64
CYP3A4 P08684 1/20 0.62
NFKB1 P19838 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
HDAC3 O15379 1/20 0.62
LTA4H P09960 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62

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
SCHEMBL11632858 1.00 HEXA (0.69) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL8879310 0.98 HEXA (0.71) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL8879380 0.93 HEXA (0.71) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL9625395 0.92 HEXA (0.81) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL9625535 0.92 HEXA (0.81) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL9625518 0.92 HEXA (0.81) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL9625779 0.92 HEXA (0.81) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL9626265 0.90 HEXA (0.83) HEXAHEXBSIRT1CYP3A4NFKB1
SCHEMBL24991893 0.88 HPGD (0.60) HEXAHEXBALDH1A1SMN1; SMN2HPGD
SCHEMBL10396736 0.86 HEXA (0.69) HEXAHEXBSIRT1CYP3A4NFKB1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180189460-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIV TENNESSEE RES FOUND (US) 2018-07-05 US disclosed
EP-2887939-B1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIV TENNESSEE RES FOUND (US) 2018-04-11 EP disclosed
EP-2887939-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES University of Tennessee Research Foundation (US) 2015-07-01 EP disclosed
US-9056835-B2 LPA2 receptor-specific benzoic acid derivatives THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-06-16 US disclosed
US-20140206714-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-07-24 US disclosed
WO-2014036038-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-03-06 WO disclosed
US-20140057936-A1 LPA2 Receptor-Specific Benzoic Acid Derivatives UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-02-27 US disclosed
WO-2013001498-A1 AMIDOALKYLPIPERAZINYL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2013-01-03 WO disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
EP-1181294-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2002-02-27 EP disclosed
WO-2001074820-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2001-10-11 WO disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3996363-A ANTIDEPRESSANT, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3959286-A ANTIDEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-05-25 US disclosed
US-3947452-A ANTIDEPRESSANT, ANTIANXIETY, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-03-30 US disclosed
US-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 US disclosed
US-3940398-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 US disclosed
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 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-20140057936-A1 LPA2 Receptor-Specific Benzoic Acid Derivatives LPAR2, LPAR1, LPAR3 HEXA 3799/4885HEXB 3868/4885SIRT1 1606/4885
US-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 HEXA 112/4885HEXB 198/4885SIRT1 585/4885
US-20140206714-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES LPAR2, LPAR1, LPAR4 HEXA 3636/4885HEXB 3780/4885SIRT1 2137/4885

“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.