SCHEMBL1127218

SCHEMBL1127218

CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
LMNA P02545 3/20 0.66
MAPT P10636 9/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
AKR1C3 P42330 1/20 0.62
SIRT6 Q8N6T7 1/20 0.60
HTT P42858 1/20 0.59
TP53 P04637 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MITF O75030 1/20 0.58
PAX8 Q06710 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 3/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL11194107 0.85 AKR1C3 (0.62) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL29057437 0.83 MAPT (0.68) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL2074819 0.83 MAPT (0.68) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL27783156 0.83 AKR1C3 (0.85) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL1811704 0.82 MAPT (0.63) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
Ammonia Solution, Strong SCHEMBL27607455 0.82 MAPT (0.66) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL1393155 0.81 AKR1C3 (0.68) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL6151230 0.80 SIRT6 (0.81) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL15271381 0.80 SIRT6 (0.81) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3
SCHEMBL3012718 0.80 AKR1C3 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885LMNA 3641/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885LMNA 3641/4885MAPT 1696/4885

“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.