SCHEMBL5034432

SCHEMBL5034432

Cc1cc2nc(-c3ccccc3)oc2cc1NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
CASP3 P42574 3/20 0.51
SENP7 Q9BQF6 3/20 0.51
SENP6 Q9GZR1 3/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.51
SENP8 Q96LD8 2/20 0.51
ALDH1A1 P00352 2/20 0.46
HPSE Q9Y251 1/20 0.45
BCHE P06276 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
VSIR Q9H7M9 3/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL18583160 0.79 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL2244889 0.77 BCHE (0.60) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL5035378 0.77 BCHE (0.60) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL14215998 0.76 KDM4E (0.44) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL2247274 0.75 KDM4E (0.59) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL22304347 0.74 RAB9A (0.60) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL9018554 0.73 NPC1 (0.68) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL23079706 0.72 NPC1 (0.59) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL13067698 0.72 NPC1 (0.59) SMN1; SMN2KDM4ECASP3SENP7SENP6
SCHEMBL15413714 0.72 NPC1 (0.66) SMN1; SMN2KDM4ECASP3SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 US disclosed
US-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 US disclosed
US-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 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-20080124807-A1 Protein tagging reagents TH, TPH1, TPH2 SMN1; SMN2 4101/4885KDM4E 904/4885CASP3 4351/4885

“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.