SCHEMBL6444615

SCHEMBL6444615

CC1(C)COc2c([N+](=O)[O-])cc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
S100A4 P26447 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
ALDH1A1 P00352 2/20 0.33
GPR35 Q9HC97 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 3/20 0.32

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
SCHEMBL2489432 0.74 AHR (0.38) PTGS1PTGS2ALOX5NOTUM
SCHEMBL672713 0.73 PTGS2 (0.35) PTGS1PTGS2ALDH1A1KDM4EALOX5
SCHEMBL6448969 0.72 HNF4A (0.35) MAPTLMNAHTTPTGS1PTGS2
SCHEMBL10440200 0.71 NR3C1 (0.35) PTGS1PTGS2ALOX5NOTUM
SCHEMBL5658865 0.71 PTGS2 (0.34) PTGS1PTGS2ALOX5NOTUM
SCHEMBL21634428 0.71 MEN1 (0.39) ERN1MAPTLMNAS100A4TRPV1
SCHEMBL6153136 0.70 PTGS2 (0.43) PTGS1PTGS2ALOX5
SCHEMBL4174631 0.69 MAPT (0.49) ERN1MAPTLMNAHTTS100A4
SCHEMBL6251479 0.69 TXNRD1 (0.50) ERN1MAPTLMNAS100A4TRPV1
SCHEMBL6153247 0.69 PTGS2 (0.55) PTGS1PTGS2ALOX5

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-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 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-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B ERN1 284/4885MAPT 4786/4885LMNA 1525/4885

“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.