Indole

Indole

SCHEMBL1979308

Oc1ccc(O)cc1.c1ccc2[nH]ccc2c1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.77
TRPA1 O75762 1/20 0.77
CA1 P00915 1/20 0.77
CA2 P00918 1/20 0.77
ITGB2 P05107 1/20 0.77
ICAM1 P05362 1/20 0.77
ITGAL P20701 1/20 0.77
CA4 P22748 1/20 0.77
CA6 P23280 1/20 0.77
ADK P55263 1/20 0.77
TYR P14679 1/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 1/20 0.59
RAD51 Q06609 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.44
BACE1 P56817 1/20 0.41
ESR1 P03372 3/20 0.41

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 SCHEMBL10638278 1.00 AHR (0.77) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL1071071 0.93 AHR (0.74) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL27922549 0.91 AHR (0.71) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL6386255 0.88 AHR (0.90) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL30250492 0.88
Indole SCHEMBL30463845 0.88
Indole SCHEMBL29352896 0.88
Indole SCHEMBL698 0.88
Indole SCHEMBL1160186 0.88 AHR (1.00) AHRTRPA1CA1CA2ITGB2
Indole SCHEMBL28071644 0.88 AHR (1.00) AHRTRPA1CA1CA2ITGB2

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
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 US disclosed
EP-1896040-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS Threshold Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 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 (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-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP AHR 2103/4885TRPA1 4285/4885CA1 3223/4885
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP AHR 2278/4885TRPA1 4358/4885CA1 3126/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP AHR 2278/4885TRPA1 4358/4885CA1 3126/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP AHR 2278/4885TRPA1 4358/4885CA1 3126/4885

“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.