SCHEMBL9901885

SCHEMBL9901885

O=c1ccc2cc3cccnc3cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA13 Q8N1Q1 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL10470663 0.93 CA12 (0.47) MAPK1CA12CA9CA1CA3
SCHEMBL5738855 0.82 MAPK1 (0.50) MAPK1CA12CA9CA1CA3
SCHEMBL28386674 0.77 RAB9A (0.46) CA12CA9CA1CA3CA4
Quinoline SCHEMBL27980914 0.77 CA12 (0.67) CA12CA9CA1CA3CA4
SCHEMBL14742903 0.76 CA12 (0.65) MAPK1CA12CA9CA1CA3
SCHEMBL4779703 0.75 MAPKAPK2 (0.49) ALDH1A1CASP1HTTMEN1CASP7
Quinoline SCHEMBL28063630 0.75 CA12 (0.65) CA12CA9CA1CA3CA4
Quinoline SCHEMBL27917281 0.75 CA12 (0.65) CA12CA9CA1CA3CA4
SCHEMBL17951770 0.75 MAPK1 (0.68) MAPK1CA12CA9CA1CA3
SCHEMBL586351 0.74 DAO (0.53) CA12CA9CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 — — US disclosed
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US disclosed
EP-2649048-B1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC (US) 2016-03-30 — — EP disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-9102659-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2015-08-11 — — US disclosed
US-20130338146-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2013-12-19 — — US disclosed
EP-2649048-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2013-10-16 — — EP disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 — — WO 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 (3 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-20130338146-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 MAPK1 831/4885CA12 4189/4885CA9 2957/4885
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 MAPK1 758/4885CA12 4324/4885CA9 3051/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 MAPK1 831/4885CA12 4189/4885CA9 2957/4885

“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.

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