SCHEMBL6429134

SCHEMBL6429134

O=C(NC1CCc2ccccc21)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
PAX8 Q06710 1/20 0.49
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CSF1R P07333 1/20 0.47
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 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
SCHEMBL6449773 0.93 ALDH1A1 (0.68) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL7483947 0.81 RAB9A (0.52) MEN1KMT2AL3MBTL1TDP1LMNA
SCHEMBL10526862 0.77 KMT2A (0.86) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL9646472 0.77 MEN1 (0.70) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7482315 0.76 RAB9A (0.50) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL3460628 0.72 HTT (0.83) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL3459886 0.72 HTT (0.83) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL29742388 0.72 HTT (0.83) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL2465110 0.72 HTT (0.83) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL191727 0.70 HTT (0.60) ALDH1A1HSD17B10MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US claimed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 WO claimed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US disclosed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 ALDH1A1 2116/4885HSD17B10 336/4885MEN1 4703/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 ALDH1A1 2819/4885HSD17B10 489/4885MEN1 4749/4885

“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.