SCHEMBL250873

SCHEMBL250873

O=C(O)NCCc1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.58
PLAAT5 Q96KN8 2/20 0.58
PLAAT2 Q9NWW9 2/20 0.58
PLAAT4 Q9UL19 2/20 0.58
CNR1 P21554 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
MGLL Q99685 1/20 0.53
FPR2 P25090 1/20 0.51
RAB9A P51151 3/20 0.50
POLB P06746 3/20 0.50
NPC1 O15118 2/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSP90AA1 P07900 1/20 0.49
GRK2 P25098 2/20 0.48
KMT2A Q03164 1/20 0.48
LIG1 P18858 1/20 0.48

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
SCHEMBL26988416 0.94 PLAAT3 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL250129 0.91 TAAR1 (0.60) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL14672313 0.89 HSP90AA1 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL16443753 0.88 KMT2A (0.52) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL25303812 0.86 CNR1 (0.66) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL3236518 0.84 CA12 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL5840627 0.82 CNR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL553085 0.82 KDM4E (0.70) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL5840621 0.82 CNR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL26988011 0.82 MTNR1A (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 US disclosed
EP-4368625-A1 SHP2 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-05-15 EP disclosed
EP-3992177-B1 DERIVATIVE COMPOUND INTRODUCING BIPHENYL GROUP INTO NOVEL AMINOALKANOIC ACID AND ANTIFUNGAL PHARMACEUTICAL COMPOSITION COMPRISING SAME AMTIXBIO CO LTD (KR) 2024-05-08 EP disclosed
WO-2024091498-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS SEPTERNA, INC. (US) 2024-05-02 WO disclosed
EP-4268811-A1 NOVEL DERIVATIVE COMPOUND HAVING BIPHENYL GROUP INTRODUCED INTO AMINO-ALKANOIC ACID AND ANTI-INFLAMMATORY COMPOSITION COMPRISING SAME Amtixbio Co., Ltd. (KR) 2023-11-01 EP disclosed
WO-2023132353-A1 METHOD FOR REMOVING TERT-BUTOXYCARBONYL GROUPS 中外製薬株式会社 2023-07-13 WO disclosed
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 EP disclosed
US-20230067422-A1 AMINOALKANOIC ACID DERIVATIVE CONTAINING BIPHENYL GROUP AND USE OF THE SAME AMTIXBIO CO., LTD. (KR) 2023-03-02 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1962855-A2 TRPA1 INHIBITORS FOR TREATING PAIN Hydra Biosciences, Inc. (US) 2008-09-03 EP disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2007073505-A2 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2007-06-28 WO disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
EP-1590321-A2 ARYL ALKYL CARBAMATE DERIVATIVES PRODUCTION AND USE THEREOF IN THERAPY Sanofi-Aventis (FR) 2005-11-02 EP disclosed
WO-2004067498-A2 ARYL ALKYL CARBAMATE DERIVATIVES PRODUCTION AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2004-08-12 WO disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP 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 (4 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 PLAAT3 1257/4885PLAAT5 1583/4885PLAAT2 1010/4885
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 PLAAT3 499/4885PLAAT5 404/4885PLAAT2 611/4885
US-20230067422-A1 AMINOALKANOIC ACID DERIVATIVE CONTAINING BIPHENYL GROUP AND USE OF THE SAME GABBR1, AADAC, GABBR2 PLAAT3 308/4885PLAAT5 546/4885PLAAT2 506/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 PLAAT3 499/4885PLAAT5 404/4885PLAAT2 611/4885

“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.