SCHEMBL1002998

SCHEMBL1002998

NNOC(=O)c1ccc(NN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 4/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
STS P08842 1/20 0.38

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
SCHEMBL9847967 0.89 MAPT (0.50) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL7051844 0.81 CA12 (0.59) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL182181 0.81 MAPT (0.64) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL17553435 0.81 MAPT (0.44) KMT2AALDH1A1MAPTMEN1CYP2C9
SCHEMBL28197850 0.81 TSHR (0.52) KMT2AALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL20984985 0.79 MAPT (0.42) KMT2AALDH1A1MAPTMEN1CYP2C9
Hydrochloric Acid SCHEMBL9551766 0.79 TSHR (0.50) KMT2AALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL8167020 0.79 ALDH1A1 (0.59) KMT2AALDH1A1MAPTPOLBMEN1
Hydrochloric Acid SCHEMBL1192202 0.79 MAPT (0.62) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL3035584 0.78 ALDH1A1 (0.67) KMT2AALDH1A1MAPTPOLBMEN1

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-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US 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 (3 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 KMT2A 3406/4885ALDH1A1 1732/4885MAPT 4413/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 KMT2A 4429/4885ALDH1A1 4771/4885MAPT 4286/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH KMT2A 1805/4885ALDH1A1 2546/4885MAPT 3090/4885

“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.