SCHEMBL17444652

SCHEMBL17444652

O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
POLB P06746 1/20 0.60
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.55
KCNJ1 P48048 3/20 0.55
KCNH2 Q12809 3/20 0.55
MAPT P10636 1/20 0.54

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
SCHEMBL17444679 0.89 L3MBTL1 (0.82) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL17444665 0.85 KMT2A (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17444657 0.80 KCNJ1 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9321252 0.80 THRB (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17444701 0.80 KCNH2 (0.73) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL14577877 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL17444554 0.79 KCNH2 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL5409035 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5774489 0.78 TSHR (0.57) ALDH1A1KMT2APOLBHTTMAPT
SCHEMBL17444555 0.78 MEN1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
EP-3169683-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2017-05-24 EP disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 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-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 ALDH1A1 1176/4885SMN1; SMN2 866/4885L3MBTL1 1953/4885

“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.