SCHEMBL5058656

SCHEMBL5058656

O=C(O)Cc1c[nH]c2c(Br)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
DNMT1 P26358 1/20 0.45
RECQL P46063 1/20 0.45
CASP6 P55212 1/20 0.45

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
SCHEMBL32684012 0.86 MPO (0.50) NPSR1GAADYRK1ASMN1; SMN2HTT
SCHEMBL5694492 0.85 TDP1 (0.53) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL21395928 0.84 HTT (0.55) HPGDDYRK1ASMN1; SMN2HTTMPO
SCHEMBL17102847 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL5058671 0.82 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL3558008 0.82 MPO (0.56) ALDH1A1MEN1KMT2ACYP2C9DYRK1A
SCHEMBL10851385 0.81 CYP1A2 (0.51) KDM4EHPGDDYRK1ASMN1; SMN2HTT
SCHEMBL6284097 0.81 HTR2A (0.58) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL5066540 0.81 GPR84 (0.65) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL6131640 0.81 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007127923-A2 PLANT GROWTH HORMONE REGULATED TRANSCRIPTION FACTORS AND PROMOTERS THEREOF DONALD DANFORTH PLANT SCIENCE CENTER (US) 2007-11-08 WO claimed
US-20050107258-A1 Auxinic analogues of indole-3-acetic acid Life Technologies Corporation 2005-05-19 US claimed
US-6815205-B2 GENERATING PLANT ROOTS INVITROGEN CORPORATION 2004-11-09 US claimed
US-20030087762-A1 Auxinic analogues of indole-3-acetic acid LIFE TECHNOLOGIES, INC. 2003-05-08 US claimed
US-6361999-B1 AMELIORATING DETRIMENTAL EFFECTS OF STRESS ON A PLANT OR PLANT TISSUE, SUCH AS ENVIRONMENTAL STRESS, PHYSICAL STRESS, CHEMICAL STRESS, FROM POLLUTION, CONTAMINATION, DROUGHT, AND LIGHT BY CONTACTING WITH AUXINIC INDOLE ACETIC ACID COMPOUND LIFE TECHNOLOGIES, INC. 2002-03-26 US claimed
EP-0866850-A4 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID LIFE TECHNOLOGIES INC (US) 2000-11-22 EP claimed
EP-0866850-A1 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID LIFE TECHNOLOGIES, INC. (US) 1998-09-30 EP claimed
WO-1997020034-A9 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID 1997-10-16 WO claimed
WO-1997020034-A1 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID LIFE TECHNOLOGIES, INC. (US) 1997-06-05 WO claimed
CN-103621505-A Application of halogenated indole-3-acetic acid as herbicide UNIV SOUTHEAST 2014-03-12 CN disclosed
US-20080196124-A1 Plant Growth Hormone Regulated Transcription Factors and Promoters Thereof DONALD DANFORTH PLANT SCIENCE CENTER (US) 2008-08-14 US disclosed
WO-2007127923-A2 PLANT GROWTH HORMONE REGULATED TRANSCRIPTION FACTORS AND PROMOTERS THEREOF DONALD DANFORTH PLANT SCIENCE CENTER (US) 2007-11-08 WO disclosed
US-20050203166-A1 Indole-3-acetic acid derivatives CANCER RESEARCH TECHNOLOGY LIMITED 2005-09-15 US disclosed
US-20050107258-A1 Auxinic analogues of indole-3-acetic acid Life Technologies Corporation 2005-05-19 US disclosed
US-6361999-B1 AMELIORATING DETRIMENTAL EFFECTS OF STRESS ON A PLANT OR PLANT TISSUE, SUCH AS ENVIRONMENTAL STRESS, PHYSICAL STRESS, CHEMICAL STRESS, FROM POLLUTION, CONTAMINATION, DROUGHT, AND LIGHT BY CONTACTING WITH AUXINIC INDOLE ACETIC ACID COMPOUND LIFE TECHNOLOGIES, INC. 2002-03-26 US disclosed
WO-2002002110-A1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-01-10 WO disclosed
EP-0866850-A4 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID LIFE TECHNOLOGIES INC (US) 2000-11-22 EP disclosed
EP-0866850-A1 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID LIFE TECHNOLOGIES, INC. (US) 1998-09-30 EP disclosed
WO-1997020034-A9 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID 1997-10-16 WO disclosed
WO-1997020034-A1 AUXINIC ANALOGUES OF INDOLE-3-ACETIC ACID LIFE TECHNOLOGIES, INC. (US) 1997-06-05 WO 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-20030087762-A1 Auxinic analogues of indole-3-acetic acid AADAC, AADAT, AANAT ALDH1A1 938/4885KDM4E 2283/4885TDP1 4440/4885
US-20050203166-A1 Indole-3-acetic acid derivatives ADCY3, GPR3, HCAR3 ALDH1A1 176/4885KDM4E 1795/4885TDP1 2863/4885
US-20050107258-A1 Auxinic analogues of indole-3-acetic acid AADAC, AADAT, AANAT ALDH1A1 1052/4885KDM4E 2107/4885TDP1 4399/4885

“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.