SCHEMBL18014683

SCHEMBL18014683

Cc1cc(F)c2c(c1)c(C=O)cn2C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 2/20 0.49
IMPDH2 P12268 1/20 0.42
ERN1 O75460 4/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 1/20 0.31
SRC P12931 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL16618947 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EIMPDH2ERN1HTR1D
SCHEMBL16727203 0.80 TP53 (0.33)
SCHEMBL1093392 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EIMPDH2ERN1MEN1
SCHEMBL18014679 0.71 ALDH1A1 (0.59) ALDH1A1KDM4EIMPDH2ERN1MEN1
SCHEMBL30995729 0.68 ALDH1A1 (0.70) ALDH1A1KDM4EIMPDH2MEN1KMT2A
SCHEMBL2275437 0.68 ALDH1A1 (0.70) ALDH1A1KDM4EIMPDH2MEN1KMT2A
SCHEMBL14033478 0.67 ERN1 (0.52) ALDH1A1KDM4EERN1MEN1KMT2A
SCHEMBL29953689 0.67 ERN1 (0.52) ALDH1A1KDM4EERN1MEN1KMT2A
SCHEMBL12450080 0.67 ERN1 (0.52) ALDH1A1KDM4EERN1MEN1KMT2A
SCHEMBL28062880 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EIMPDH2ERN1HTR1D

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 ALDH1A1 1923/4885KDM4E 2364/4885IMPDH2 1323/4885

“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.