SCHEMBL6516641

SCHEMBL6516641

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.51
NR4A2 P43354 1/20 0.50
AKR1B1 P15121 1/20 0.49
RIPK1 Q13546 3/20 0.48
AHR P35869 1/20 0.47
PCSK9 Q8NBP7 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 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
SCHEMBL32684019 0.86 HTR2A (0.60) HTR2ASLC6A4NR4A2RIPK1AHR
SCHEMBL8088111 0.86 HTR2A (0.60) HTR2ASLC6A4NR4A2RIPK1AHR
SCHEMBL5694492 0.85 TDP1 (0.53) AKR1B1ALDH1A1TDP1TSHRLMNA
SCHEMBL18509269 0.84 HTR2A (0.63) HTR2ASLC6A4NR4A2RIPK1PCSK9
SCHEMBL17102847 0.83 ALDH1A1 (0.59) AKR1B1ALDH1A1TDP1TSHRLMNA
SCHEMBL25139668 0.83 HTR2A (0.54) HTR2ASLC6A4NR4A2RIPK1AHR
SCHEMBL25139842 0.83 HTR2A (0.54) HTR2ASLC6A4NR4A2RIPK1AHR
SCHEMBL5058671 0.82 ALDH1A1 (0.46) AKR1B1ALDH1A1TDP1TSHRLMNA
SCHEMBL6284097 0.81 HTR2A (0.58) HTR2ANR4A2PCSK9ALDH1A1TDP1
SCHEMBL6512784 0.81 CSNK2A2 (0.56) HTR2AAKR1B1ALDH1A1TDP1TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104311469-B A kind of synthetic method of substituted indole-3-acetic acid 东南大学 2016-10-26 CN disclosed
CN-104311469-A Synthetic method of substituted indole-3-acetic acid UNIV SOUTHEAST 2015-01-28 CN disclosed
US-20050203166-A1 Indole-3-acetic acid derivatives CANCER RESEARCH TECHNOLOGY LIMITED 2005-09-15 US disclosed
US-6890948-B1 Use of indole-3-acetic acid derivatives in medicine CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-05-10 US disclosed
EP-1296676-B1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE CANCER REC TECH LTD (GB) 2004-01-28 EP disclosed
EP-1296676-A1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE Cancer Research Technology Limited (GB) 2003-04-02 EP disclosed
WO-2002002110-A1 USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-01-10 WO disclosed
US-20010034887-A1 Transformation of guar JORSBOE MORTEN (DK) 2001-10-25 US disclosed
US-6307127-B1 TRANSFORMATION, REGENERATION AND SELECTION OF LEGUMES OF GENUS CYAMOPSIS, IN PARTICULAR AGROBACTERIUM-MEDIATED TRANSFORMATION OF GUAR(CYAMOPSIS TETRAGONOLOBA) TO GENETICALLY MODIFIED PLANTS BY USE OF BETA-LACTAMASE INHIBITOR SULBACTAM DANISCO A/S (DK) 2001-10-23 US disclosed
EP-0766743-A2 TRANSFORMATION OF GUAR DANISCO A/S (DK) 1997-04-09 EP disclosed
WO-1995034667-A2 TRANSFORMATION OF GUAR DANISCO A/S (DK) 1995-12-21 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 (1 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-20050203166-A1 Indole-3-acetic acid derivatives ADCY3, GPR3, HCAR3 HTR2A 1690/4885SLC6A4 458/4885NR4A2 1579/4885

“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.