SCHEMBL4161199

SCHEMBL4161199

CN(C)c1cnn(C)c(=O)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KAT2B Q92831 3/20 0.37
▸ BRD9 Q9H8M2 2/20 0.37
▸ BPTF Q12830 7/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CDK8 P49336 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ SMPD3 Q9NY59 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MTOR P42345 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
SCHEMBL7017552 0.78 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL2544338 0.77 RAB9A (0.55) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL2964987 0.75 KAT2B (0.41) ALDH1A1RAB9AKAT2BBRD9BPTF
SCHEMBL7011309 0.72 KAT2B (0.37) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL6484911 0.70 GAA (0.64) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL4165192 0.69 BPTF (0.40) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL8237034 0.69 KAT2B (0.62) RAB9ANPC1CYP1A2SMN1; SMN2KAT2B
SCHEMBL21232989 0.69 SMPD3 (0.40) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL5106132 0.68 KDM4E (0.43) LMNACYP3A4GAAKMT2AMAPT
SCHEMBL31735389 0.65 BRD9 (0.42) ALDH1A1KAT2BBRD9BPTFBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 — — US disclosed
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 — — US disclosed
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 — — US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 — — US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 — — US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 — — US disclosed
WO-2007014226-A2 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATION AND STROKE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-02-01 — — 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-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 ALDH1A1 1519/4885RAB9A 2534/4885NPC1 996/4885
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 ALDH1A1 1519/4885RAB9A 2534/4885NPC1 996/4885

“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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