SCHEMBL3301661

SCHEMBL3301661

COc1ccc2nc(-c3ccc(OCCCF)cc3)cn2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.61
ALDH1A3 P47895 4/20 0.60
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
HRH3 Q9Y5N1 4/20 0.56
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 4/20 0.52
PKM P14618 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
EPHX2 P34913 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49

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
SCHEMBL2817233 0.94 APP (0.62) APPALDH1A3ALDH1A1MEN1MAPT
SCHEMBL12855179 0.90 HRH3 (0.68) APPALDH1A3ALDH1A1HRH3NPC1
SCHEMBL3302992 0.89 HRH3 (0.53) APPALDH1A3ALDH1A1MEN1MAPT
SCHEMBL13411203 0.88 HRH3 (0.70) APPALDH1A3ALDH1A1MEN1MAPT
SCHEMBL3302715 0.88 APP (0.62) APPALDH1A3ALDH1A1HRH3NPC1
SCHEMBL1727344 0.85 APP (0.62) APPALDH1A3ALDH1A1MEN1MAPT
SCHEMBL12855180 0.85 HRH3 (0.53) APPALDH1A3ALDH1A1MEN1MAPT
SCHEMBL1725963 0.85 HRH3 (0.69) APPALDH1A3ALDH1A1MEN1MAPT
SCHEMBL2256979 0.85 KDM4E (0.53) APPALDH1A3ALDH1A1HRH3NPC1
SCHEMBL13556183 0.85 HRH3 (0.53) APPALDH1A3ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042501-B1 COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDIPHYSICS CO LTD (JP) 2017-04-12 EP disclosed
US-8277777-B2 Compound having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-10-02 US disclosed
US-8277777-B2 Compound having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-10-02 US disclosed
US-20100092387-A1 Novel Compound Having Affinity For Amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-04-15 US disclosed
US-20100092387-A1 Novel Compound Having Affinity For Amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-04-15 US disclosed
EP-2042501-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-04-01 EP 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-20100092387-A1 Novel Compound Having Affinity For Amyloid APP, SLC43A1, APBA1 APP 1/4885ALDH1A3 3784/4885ALDH1A1 1548/4885

“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.