SCHEMBL5453603

SCHEMBL5453603

Nc1cc(O)c(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPOX P50336 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM1A O60341 3/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 1/20 0.31

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
SCHEMBL4847829 0.91 CA9 (0.38) CA9CA1CA2CA6CA5A
SCHEMBL31215617 0.81 CA9 (0.36) CA9CA1CA2CA6CA5A
SCHEMBL27427442 0.79 ALOX15 (0.42) CA9CA1CA2CA6CA5A
SCHEMBL1266166 0.79 ALOX15 (0.42) CA9CA1CA2CA6CA5A
SCHEMBL1134914 0.77 ALOX15 (0.40) CA9CA1CA2CA6CA5A
SCHEMBL29547583 0.77 ALOX15 (0.40) CA9CA6CA5ACA14CA5B
SCHEMBL29365100 0.77 ALDH1A1 (0.46) CA9CA1CA2CA6CA5A
SCHEMBL29501763 0.77 ALOX15 (0.40) CA9CA1CA2CA6CA5A
SCHEMBL275963 0.77 ALDH1A1 (0.46) CA9CA1CA2CA6CA5A
SCHEMBL6659815 0.77 ALDH1A1 (0.40) CA9CA1CA2CA6CA5A

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3223821-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-04 EP disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 WO disclosed
US-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-7087602-B2 Cinnoline derivatives and use as medicine ASTRAZENECA UK LIMITED (GB) 2006-08-08 US disclosed
EP-1274692-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
CN-1252054-C Qinoline derivatives inhibiting effect of growth factors such as VEGF ZENECA LTD (GB) 2006-04-19 CN disclosed
CN-1240688-C Quinazoline compounds ASTRAZENECA AB (SE) 2006-02-08 CN disclosed
EP-0888310-B1 CINNOLINE DERIVATIVES AND USE AS MEDICINE ASTRAZENECA AB (SE) 2005-09-07 EP disclosed
US-4826533-A IN CORN AND SOYBEAN FIELDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-02 US disclosed
US-4770695-A CORN OR SOYABEAN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-13 US disclosed
US-4736068-A Tetrahydrophthalimides and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-05 US disclosed
EP-0083055-B1 TETRAHYDROPHTHALIMIDE COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-17 EP disclosed
EP-0061741-B1 TETRAHYDROPHTHALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-18 EP disclosed
US-4484941-A Tetrahydrophthalimides, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-27 US disclosed
US-4484940-A Tetrahydrophthalimides, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-27 US disclosed
US-4431822-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-14 US disclosed
EP-0083055-A2 Tetrahydrophthalimide compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-06 EP disclosed
EP-0061741-A2 Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 EP 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 (2 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-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BDKRB2, BDKRB1, PDGFRB CA9 3926/4885CA1 4427/4885CA2 3455/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 CA9 681/4885CA1 1150/4885CA2 949/4885

“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.