SCHEMBL16079002

SCHEMBL16079002

C=C1Sc2cc(C(F)(F)F)ccc2N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
PKM P14618 2/20 0.45
NOX1 Q9Y5S8 4/20 0.38
PTPN5 P54829 1/20 0.38
TP53 P04637 4/20 0.37
ADRA2A P08913 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
DRD3 P35462 3/20 0.37
MAPK1 P28482 3/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 2/20 0.37
ABCB1 P08183 2/20 0.37
HTR1A P08908 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
CYP2D6 P10635 2/20 0.37
CHRM1 P11229 2/20 0.37
TSHR P16473 2/20 0.37
DRD1 P21728 2/20 0.37

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
SCHEMBL16079009 0.77 MAPT (0.49) ALDH1A1MAPTPKMNOX1ADRA2A
SCHEMBL14215177 0.72 ALDH1A1 (0.45) ALDH1A1MAPTPKMNOX1ADRA2A
SCHEMBL10133803 0.71 NOX1 (0.47) ALDH1A1MAPTPKMNOX1ADRA2A
SCHEMBL29865250 0.70 TP53 (0.47) ALDH1A1MAPTNOX1PTPN5TP53
SCHEMBL17353592 0.70 TP53 (0.47) ALDH1A1MAPTNOX1PTPN5TP53
SCHEMBL17359363 0.70 CYBB (0.39) ALDH1A1MAPTPKMNOX1PTPN5
SCHEMBL17359353 0.70 CYBB (0.39) ALDH1A1MAPTPKMNOX1PTPN5
SCHEMBL14328384 0.70 MAOA (0.61) ALDH1A1MAPTNOX1TP53ADRA2A
SCHEMBL762766 0.70 MAOA (0.68) ALDH1A1MAPTPKMNOX1TP53
SCHEMBL17359379 0.68 PTPN5 (0.40) ALDH1A1MAPTPKMNOX1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275169-A1 Combination Therapies for Enhancing Protein Degradation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 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-20140275169-A1 Combination Therapies for Enhancing Protein Degradation HSPA2, HSPBP1, HSPH1 ALDH1A1 2288/4885MAPT 27/4885PKM 3219/4885

“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.