SCHEMBL7045447

SCHEMBL7045447

COc1c(Br)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
POLB P06746 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
TPMT P51580 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PDE7A Q13946 1/20 0.40
PDE7B Q9NP56 1/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL5691398 0.87 TPMT (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6701537 0.82 TSHR (0.48) MAPTPOLBGRIN2DGRIN3BGRIN1
SCHEMBL5038570 0.82 MAPT (0.54) MAPTPOLBGRIN2DGRIN3BGRIN1
SCHEMBL3364705 0.81 GPR35 (0.48) MAPTPOLBGRIN2DGRIN3BGRIN1
SCHEMBL30079502 0.81 GPR35 (0.48) MAPTPOLBGRIN2DGRIN3BGRIN1
SCHEMBL7042203 0.81 TSHR (0.44) MAPTPOLBGRIN2DGRIN3BGRIN1
SCHEMBL2133102 0.79 GRIN2D (0.43) MAPTPOLBGRIN2DGRIN3BGRIN1
SCHEMBL10425942 0.79 TPMT (0.43) MAPTPOLBTPMTPDE7ATSHR
SCHEMBL12087101 0.79 TPMT (0.43) MAPTTPMTTSHRALDH1A1TDP1
SCHEMBL29686592 0.79 GRIN2D (0.43) MAPTPOLBGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049605-A1 PROCESSES FOR THE PREPARATION OF AN INTERMEDIATE IN THE SYNTHESIS OF ELTROMBOPAG ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2013-04-04 WO disclosed
US-7414040-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2008-08-19 US disclosed
US-7414040-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2008-08-19 US disclosed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 MAPT 1238/4885POLB 3553/4885GRIN2D 1312/4885

“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.