SCHEMBL13942542

SCHEMBL13942542

CC(=O)Nc1c(N2CCCCC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ HPGD P15428 2/20 0.54
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ DCTPP1 Q9H773 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PFKFB3 Q16875 1/20 0.42

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
SCHEMBL13942540 0.99 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL13942548 0.88 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL13942543 0.78 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL4172546 0.77 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL13942534 0.77 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL4173129 0.75 RAB9A (0.47) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL11943315 0.75 MEN1 (0.57) NPC1SMN1; SMN2HPGDLMNAPOLB
SCHEMBL11943214 0.74 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13219330 0.74 ALDH1A1 (0.70) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13942551 0.72 RAB9A (0.42) NPC1RAB9ASMN1; SMN2HPGDLMNA

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 4 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-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

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

“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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