SCHEMBL4172546

SCHEMBL4172546

CC(=O)Nc1c(Cl)cnn(-c2ccccc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ HTT P42858 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ PAX8 Q06710 3/20 0.57
▸ MITF O75030 1/20 0.57
▸ S1PR4 O95977 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ XBP1 P17861 1/20 0.57
▸ S1PR1 P21453 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ NPBWR1 P48145 5/20 0.52
▸ MCHR1 Q99705 4/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL4173129 0.81 RAB9A (0.47) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL13942551 0.78 RAB9A (0.42) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL13942540 0.78 NPC1 (0.60) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL8246044 0.77 RAB9A (0.56) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL13942542 0.77 NPC1 (0.60) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL13942552 0.76 RAB9A (0.41) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL4170118 0.76 BPTF (0.52) SMN1; SMN2HTTALDH1A1MAPTNPBWR1
SCHEMBL8242807 0.76 RAB9A (0.59) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL13942548 0.75 NPC1 (0.62) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL8245374 0.75 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AHTTALDH1A1NPC1

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 SMN1; SMN2 89/4885RAB9A 2534/4885HTT 56/4885
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 SMN1; SMN2 89/4885RAB9A 2534/4885HTT 56/4885

“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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