SCHEMBL8243863

SCHEMBL8243863

CCCCCCNc1cnn(-c2ccccc2)c(=O)c1Cl

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.91
▸ SMN1; SMN2 Q16637 7/20 0.91
▸ KDM4E B2RXH2 4/20 0.91
▸ HTT P42858 3/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ PKM P14618 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ CNR2 P34972 2/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ MITF O75030 1/20 0.51
▸ S1PR4 O95977 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ S1PR1 P21453 1/20 0.51
▸ PAX8 Q06710 1/20 0.51

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
SCHEMBL17074602 0.90 RAB9A (0.85) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL8247744 0.83 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL8242081 0.80 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL19000704 0.78 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL17074609 0.76 CNR2 (0.81) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL8245374 0.75 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL13219471 0.75 HTT (0.78) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL17074595 0.73 CNR2 (1.00) RAB9ASMN1; SMN2KDM4EHTTCYP1A2
SCHEMBL9982691 0.73 KDM4E (0.64) RAB9ASMN1; SMN2KDM4ECNR2
SCHEMBL8243861 0.73 CA12 (0.62) RAB9ASMN1; SMN2KDM4EHTTCYP1A2

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 5 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
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 89/4885KDM4E 3160/4885
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 RAB9A 2534/4885SMN1; SMN2 89/4885KDM4E 3160/4885

“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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