Indole

Indole

SCHEMBL710464

O=[N+]([O-])c1ccc2cc[nH]c2c1.c1ccc2[nH]ccc2c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ITGB2 P05107 1/20 0.55
ICAM1 P05362 1/20 0.55
ITGAL P20701 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
AHR P35869 1/20 0.55
ADK P55263 1/20 0.55
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
NOS1 P29475 1/20 0.47
PKM P14618 1/20 0.47
PKLR P30613 1/20 0.47
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 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
SCHEMBL30011 0.92 MAPT (0.54) AHRMAPTCYP3A4LMNAALOX15
SCHEMBL29904251 0.92 MAPT (0.54) AHRMAPTCYP3A4LMNAALOX15
Pyrimidine SCHEMBL28222787 0.84 MAPT (0.49) MAPTCYP3A4LMNAALOX15NOS1
Quinoline SCHEMBL28248827 0.83 MAPT (0.48) MAPTCYP3A4LMNAALOX15NOS1
SCHEMBL21496937 0.83 ALDH1A1 (0.48) MAPTCYP3A4LMNAALOX15NOS1
4-Nitrotoluene SCHEMBL27922522 0.83 ACHE (0.56) TRPA1CA1CA2ITGB2ICAM1
SCHEMBL30597526 0.81 MAPT (0.54) CA1CA2AHRMAPTCYP3A4
SCHEMBL28686 0.81 MAPT (0.54) CA1CA2AHRMAPTCYP3A4
Indole SCHEMBL28798242 0.80 TRPA1 (0.50) TRPA1CA1CA2ITGB2ICAM1
3-Nitrobenzaldehyde SCHEMBL27857158 0.80 NFE2L2 (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 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 (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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG TRPA1 681/4885CA1 1969/4885CA2 1087/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG TRPA1 2000/4885CA1 2681/4885CA2 1685/4885

“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.