SCHEMBL20067067

SCHEMBL20067067

CC(=O)c1cc2cc(Br)c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
APEX1 P27695 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL18131132 0.81 ALDH1A1 (0.55) MAPTGAAKDM4ELMNAHPGD
SCHEMBL20067072 0.75 GPR35 (0.39) MAPTGAAKDM4ELMNAHPGD
SCHEMBL12862878 0.73 HRH4 (0.62) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL18332181 0.72 APEX1 (0.51) MAPTKDM4EAPEX1LMNAHPGD
SCHEMBL17999872 0.71 MAP2K1 (0.35) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20067085 0.70 APEX1 (0.46) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11806702 0.69 ALDH1A1 (0.42) MAPTGAALMNACYP1A2CYP3A4
SCHEMBL6160883 0.69 APEX1 (0.51) MAPTKDM4EGRIN1APEX1LMNA
SCHEMBL2730304 0.68 HRH4 (0.58) HRH4
SCHEMBL2729921 0.68 FLT3 (0.61) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF MAPT 565/4885GAA 2755/4885KDM4E 3919/4885

“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.