SCHEMBL18803136

SCHEMBL18803136

CCn1nnc2c(Br)ccc(OC)c21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.50
NQO2 P16083 2/20 0.41
CASR P41180 2/20 0.40
MAPT P10636 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
SLC9A1 P19634 1/20 0.33

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
SCHEMBL18803135 0.88 GRM2 (0.46) GRM2NQO2CASRMAPTBRD9
SCHEMBL20268944 0.79 GRM2 (0.41) GRM2NQO2CASRMAPTBRD9
SCHEMBL16475171 0.74 GRM2 (0.42) GRM2
SCHEMBL25285360 0.72 SLC9A1 (0.40) GRM2NQO2MAPTSLC9A1
SCHEMBL16475169 0.71 GRM2 (0.42) GRM2
SCHEMBL26654800 0.67 GRM2 (0.55) GRM2MAPTSLC9A1
SCHEMBL30665857 0.67 GRM2 (0.55) GRM2MAPTSLC9A1
SCHEMBL2498265 0.66 CASR (0.79) CASR
SCHEMBL18323572 0.66 GRM2 (0.42) GRM2BRD9SLC9A1
SCHEMBL16831208 0.66 GRM2 (0.63) GRM2MAPTSLC9A1

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-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 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-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 GRM2 4047/4885NQO2 2860/4885CASR 3999/4885

“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.