SCHEMBL9901191

SCHEMBL9901191

CC1(C)CC(NC(=NC#N)Nc2cccc(Cl)c2Cl)C(C)(C)N1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.35
▸ KMT2A Q03164 9/20 0.35
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL16994504 1.00 MEN1 (0.35) MEN1KMT2APKMMAPK1LMNA
SCHEMBL18727709 1.00 MEN1 (0.35) MEN1KMT2APKMMAPK1LMNA
SCHEMBL16994521 0.88 LMNA (0.30) LMNA
SCHEMBL18727713 0.88 LMNA (0.30) LMNA
SCHEMBL9902074 0.88 LMNA (0.30) LMNA
SCHEMBL9902131 0.84 KMT2A (0.35) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL16994522 0.83 MAPT (0.34) MEN1KMT2AMAPTPOLBCYP2C19
SCHEMBL16994488 0.83 USP30 (0.38) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL17271387 0.83 MAPT (0.34) MEN1KMT2AMAPTPOLBCYP2C19
SCHEMBL9901575 0.83 MAPT (0.34) MEN1KMT2AMAPTPOLBCYP2C19

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 3 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
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 (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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 MEN1 4442/4885KMT2A 3054/4885PKM 311/4885

“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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