SCHEMBL14948487

SCHEMBL14948487

CCOC(=O)C(C(C)=O)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
PKM P14618 3/20 0.43
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPK1 P28482 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 5/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3527609 0.93 ALDH1A1 (0.50) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL395222 0.90 PKM (0.45) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL25952873 0.90 ALDH1A1 (0.56) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL492620 0.86 MAPT (0.54) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL18795102 0.85 ALDH1A1 (0.44) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL7059134 0.84 ALDH1A1 (0.42) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL25450873 0.83 ALDH1A1 (0.50) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL30558592 0.82 ALDH1A1 (0.64) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL395221 0.82 ALDH1A1 (0.64) ALDH1A1PKMMAPTSMN1; SMN2MAPK1
SCHEMBL25296472 0.80 KMT2A (0.41) ALDH1A1PKMMAPTSMN1; SMN2MAPK1

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-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 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-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 ALDH1A1 1768/4885PKM 4275/4885MAPT 2694/4885

“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.