SCHEMBL18329006

SCHEMBL18329006

O=C1CCCc2c1cccc2-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
S100A4 P26447 3/20 0.45
PTPRC P08575 1/20 0.45
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTPN1 P18031 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
FGB P02675 1/20 0.40
KEAP1 Q14145 1/20 0.40
PLEC Q15149 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL2333693 0.90 MAPT (0.50) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL768880 0.90 MAPT (0.53) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL4573599 0.87 MAPT (0.53) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL16445689 0.83 ALDH1A1 (0.47) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL28041457 0.81 MAOA (0.56) KMT2ACYP2A6MAOAMAOBHSD17B10
SCHEMBL166701 0.80 MAPT (0.56) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL35211484 0.80 MAPT (0.56) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL30535903 0.75 ALDH1A1 (0.74) KMT2ARECQLTDP1ALDH1A1S100A4
SCHEMBL1287837 0.75 ALDH1A1 (0.74) KMT2ARECQLTDP1ALDH1A1S100A4
SCHEMBL2335721 0.75 ALDH1A1 (0.49) MAPTKMT2ARECQLMCL1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 US disclosed
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 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 (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-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS KLK3, AR, BRDT MAPT 3369/4885KMT2A 1813/4885RECQL 4829/4885

“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.