SCHEMBL5058671

SCHEMBL5058671

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
DNMT1 P26358 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL5694492 0.86 TDP1 (0.53) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL17102847 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5058656 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6516641 0.82 HTR2A (0.58) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5066540 0.82 GPR84 (0.65) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6284097 0.82 HTR2A (0.58) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6131640 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL21808835 0.78 MTNR1A (0.62) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL30708156 0.78 MTNR1A (0.62) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL20816072 0.77 MAPT (0.63) ALDH1A1KDM4EMEN1MAPTKMT2A

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 7 patents. 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
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

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-20030087762-A1 Auxinic analogues of indole-3-acetic acid AADAC, AADAT, AANAT ALDH1A1 938/4885KDM4E 2283/4885MEN1 3506/4885
US-20050107258-A1 Auxinic analogues of indole-3-acetic acid AADAC, AADAT, AANAT ALDH1A1 1052/4885KDM4E 2107/4885MEN1 3370/4885

“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.