Indole

Indole

SCHEMBL6835663

O=C(O)CCC(=O)O.c1ccc2[nH]ccc2c1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4

The experimentally established mechanism targets of Indole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.43
SLC6A4 known ✓ P31645 2/20 0.43
TRPA1 O75762 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
ITGB2 P05107 1/20 0.65
ICAM1 P05362 1/20 0.65
ITGAL P20701 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
AHR P35869 1/20 0.65
ADK P55263 1/20 0.65
CTNNB1 P35222 4/20 0.53
WNT3A P56704 4/20 0.53
ADAM17 P78536 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ENPP2 Q13822 1/20 0.46
HSD17B10 Q99714 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
Indole SCHEMBL2170920 0.91 TRPA1 (0.59) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL30850035 0.90 TRPA1 (0.57) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL412813 0.90 TRPA1 (0.57) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL1714414 0.89 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28154294 0.88 TRPA1 (0.55) TRPA1CA1CA2ITGB2ICAM1
Phenyl Propionic Acid SCHEMBL27592230 0.88 KEAP1 (0.61) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL17536616 0.88 TRPA1 (0.55) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL17536619 0.88 TRPA1 (0.55) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL8661436 0.88 TRPA1 (0.55) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28479409 0.88 TRPA1 (0.77) TRPA1CA1CA2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702175-B Preparation method of indole-3-succinimide UNIV DONGHUA 2014-08-13 CN disclosed
CN-102702175-A Preparation method of indole-3-succinimide UNIV DONGHUA 2012-10-03 CN disclosed
US-6753297-B2 TREATING A PLANT WITH AN INDOLE-3-CARBOXYLIC ACID COMPOUND FOR PROMOTING GROWTH IN PLANTS HAMMER CHARLES (US) 2004-06-22 US disclosed
US-20030158043-A1 Use of indole-3-succinic acid as auxin HAMMER CHARLES (US) 2003-08-21 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 (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-20030158043-A1 Use of indole-3-succinic acid as auxin SPIN3, SUCNR1, SUMO3 SLC6A2 619/4885SLC6A4 221/4885TRPA1 3565/4885

“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.