SCHEMBL13329432

SCHEMBL13329432

Nc1n[nH]c2nc(-c3cccc(O)c3)c3c(c12)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
RAB9A P51151 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MDM2 Q00987 1/20 0.43
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
PIK3CG P48736 6/20 0.41

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
SCHEMBL13329468 0.85 IKBKE (0.44) ALDH1A1NPC1LMNARAB9AKDM4E
SCHEMBL13360847 0.85 CHRNB4 (0.38) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13329422 0.85 ALDH1A1 (0.40) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13329420 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13329634 0.84 IKBKE (0.43) ALDH1A1NPC1LMNARAB9AKDM4E
SCHEMBL13329626 0.84 EPHA4 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13329610 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13329346 0.83 IKBKE (0.44) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13329321 0.83 HTR7 (0.43) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13360806 0.82 ADORA2A (0.44) ALDH1A1HPGDKDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 US disclosed
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 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 (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-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 ALDH1A1 1835/4885MAPT 349/4885HPGD 4444/4885

“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.