SCHEMBL15560205

SCHEMBL15560205

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.47
GRIN2B Q13224 8/20 0.47
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
AKT1 P31749 1/20 0.38
F2RL3 Q96RI0 3/20 0.38
NPC1 O15118 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
RAB9A P51151 1/20 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
TNF P01375 1/20 0.38

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
SCHEMBL15560795 0.89 HDAC1 (0.40) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL18918989 0.89 PDE5A (0.42) GRIN1GRIN2B
SCHEMBL16756275 0.88 GRIN1 (0.47) GRIN1GRIN2B
SCHEMBL16756580 0.88 TLR7 (0.44) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL16756284 0.87 GRIN1 (0.44) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL16756353 0.87 NPSR1 (0.44) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL15560797 0.87 GRIN1 (0.41) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL16756432 0.85 GRIN1 (0.42) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL20258696 0.83 PPARD (0.40) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL15551375 0.83 TNF (0.41) GRIN1GRIN2BPPARDPPARATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO 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 GRIN1 1207/4885GRIN2B 960/4885PPARD 537/4885

“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.