SCHEMBL16756353

SCHEMBL16756353

COc1ccc(-c2ccc3nc(C(O)C(C)C)n(Cc4ccccc4OC(F)F)c3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2B Q13224 5/20 0.44
TP53 P04637 1/20 0.42
PPARD Q03181 3/20 0.40
PPARA Q07869 1/20 0.40
ALOX5AP P20292 1/20 0.38
F2RL3 Q96RI0 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.38
TNF P01375 2/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL16756432 0.90 GRIN1 (0.42) NPSR1GRIN1GRIN2BTP53PPARD
SCHEMBL15560205 0.87 GRIN1 (0.47) NPSR1GRIN1GRIN2BPPARDPPARA
SCHEMBL16756515 0.86 GRIN1 (0.41) NPSR1GRIN1GRIN2BTP53PPARD
SCHEMBL16756536 0.84 GRIN1 (0.40) NPSR1GRIN1GRIN2BTP53PPARD
SCHEMBL16756284 0.83 GRIN1 (0.44) NPSR1GRIN1GRIN2BPPARDPPARA
SCHEMBL15560795 0.77 HDAC1 (0.40) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL18918989 0.76 PDE5A (0.42) GRIN1GRIN2B
SCHEMBL16756275 0.76 GRIN1 (0.47) GRIN1GRIN2B
SCHEMBL16756580 0.75 TLR7 (0.44) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL20258696 0.74 PPARD (0.40) GRIN1GRIN2BPPARDPPARATNF

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
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA NPSR1 3890/4885GRIN1 1207/4885GRIN2B 960/4885

“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.