SCHEMBL9901575

SCHEMBL9901575

CC1(C)CC(NC(=NC#N)Nc2cc(Cl)ccc2Cl)C(C)(C)N1O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL17271387 1.00 MAPT (0.34) MAPTALDH1A1HCRTR1HCRTR2POLB
SCHEMBL16994522 1.00 MAPT (0.34) MAPTALDH1A1HCRTR1HCRTR2POLB
SCHEMBL9901579 0.92 USP30 (0.38) MAPTHCRTR1HCRTR2POLBMEN1
SCHEMBL16994488 0.92 USP30 (0.38) MAPTHCRTR1HCRTR2POLBMEN1
SCHEMBL16994490 0.85 GRM4 (0.32) —
SCHEMBL17271383 0.85 GRM4 (0.32) —
SCHEMBL17271382 0.85 GRM4 (0.32) —
SCHEMBL16994506 0.84 QPCT (0.37) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL9901650 0.84 QPCT (0.37) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL9901652 0.84 QPCT (0.37) MAPTALDH1A1POLBMEN1KMT2A

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
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 — — US claimed
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — 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 (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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 MAPT 2036/4885ALDH1A1 1794/4885HCRTR1 4049/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 MAPT 2271/4885ALDH1A1 1804/4885HCRTR1 4125/4885

“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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