SCHEMBL2194775

SCHEMBL2194775

CN(C)c1ccc(C(=O)Nc2ccc(-c3cn4cc(F)ccc4n3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.70
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.51
MAP3K5 Q99683 1/20 0.50
MCHR1 Q99705 1/20 0.49
HDAC4 P56524 1/20 0.49
HPGDS O60760 1/20 0.48

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
SCHEMBL2197255 0.89 APP (0.69) APPKDM4ENPC1ALDH1A1HPGD
SCHEMBL2195111 0.87 APP (0.70) APPKDM4ENPC1ALDH1A1HPGD
SCHEMBL1982891 0.85 SMN1; SMN2 (0.60) APPKDM4ENPC1ALDH1A1HPGD
SCHEMBL26665315 0.84 HPGDS (0.58) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12422026 0.84 KDM4E (0.74) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL26603203 0.80 NPC1 (0.62) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16623339 0.79 NPC1 (0.74) APPKDM4ENPC1ALDH1A1HPGD
SCHEMBL2193331 0.78 NPC1 (0.58) APPKDM4ENPC1ALDH1A1HPGD
SCHEMBL2193963 0.77 MAPT (0.47) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2194003 0.77 SMN1; SMN2 (0.60) APPKDM4ENPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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 (1 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 APP 17/4885KDM4E 4073/4885NPC1 1265/4885

“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.