SCHEMBL6069337

SCHEMBL6069337

O=C(CBr)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 8/20 0.69
KMT2A Q03164 8/20 0.69
POLB P06746 4/20 0.69
MAPT P10636 3/20 0.69
DDX3X O00571 1/20 0.69
HTT P42858 1/20 0.69
CTDSP1 Q9GZU7 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.66
BLM P54132 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
RECQL P46063 1/20 0.60

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
SCHEMBL5141415 0.89 MEN1 (0.75) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL9670363 0.88 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL1969093 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL28929464 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL30069319 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5213509 0.84 CYP1A2 (0.78) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL9427754 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL30957465 0.84 CYP1A2 (0.78) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8752436 0.83 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL18530327 0.83 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO disclosed
WO-1998006671-A1 METHODS FOR REMOVING UNREACTED ELECTROPHILES FROM A REACTION MIXTURE ISIS PHARMACEUTICALS, INC. (US) 1998-02-19 WO disclosed
US-5632898-A SCAVINGING WITH A WATER-SOLUBLE NUCLEOPHILE COMPRISING AMINO-, HYDROXY- OR MERCAPTO-CONTAINING SULFONATES, CARBOXYLATES OR PHOSPHONATES FOLLOWED BY SEPARATION ISIS PHARMACEUTICALS, INC. (US) 1997-05-27 US disclosed
US-4026709-A Color photographic recording material CIBA-GEIGY AG (CH) 1977-05-31 US disclosed
US-3984432-A PHOSPHONIC ACID AND PHOSPHORIC ACID DERIVATIVES CIBA-GEIGY AG (CH) 1976-10-05 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-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD ALDH1A1 1826/4885SMN1; SMN2 894/4885MEN1 971/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD ALDH1A1 1826/4885SMN1; SMN2 894/4885MEN1 971/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885SMN1; SMN2 4793/4885MEN1 3562/4885

“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.