SCHEMBL4167058

SCHEMBL4167058

CN(C)c1cnn(-c2ccccc2)c(=O)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.53
▸ SMN1; SMN2 Q16637 8/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ LMNA P02545 5/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ MAPT P10636 5/20 0.48
▸ APP P05067 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ PAX8 Q06710 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ S1PR4 O95977 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ PPARG P37231 3/20 0.47
▸ NCOA2 Q15596 3/20 0.47

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
SCHEMBL13942523 0.84 RAB9A (0.47) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL13942526 0.81 RAB9A (0.45) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL9397355 0.81 RAB9A (0.76) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL13942528 0.79 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL4173129 0.77 RAB9A (0.47) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL13942532 0.77 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL11726417 0.76 RAB9A (0.69) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL3984192 0.76 RAB9A (0.70) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL4161199 0.73 ALDH1A1 (0.40) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL13219331 0.72 RAB9A (0.64) RAB9ASMN1; SMN2NPC1LMNACYP1A2

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-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
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 RAB9A 2534/4885SMN1; SMN2 89/4885NPC1 996/4885
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 RAB9A 2534/4885SMN1; SMN2 89/4885NPC1 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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