SCHEMBL16756509

SCHEMBL16756509

COC(=O)C1CC=C(c2ncc(-c3ccc4nc(C)n(Cc5ccccc5OC(F)F)c4c3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.36
CDK9 P50750 1/20 0.36
PPARA Q07869 1/20 0.36
TNF P01375 2/20 0.35
SPHK1 Q9NYA1 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
BMPR1B O00238 1/20 0.33
GAK O14976 1/20 0.33
RIPK2 O43353 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
SCHEMBL16756518 0.85 PPARD (0.38) PPARDCDK9PPARATNFSPHK1
SCHEMBL16756334 0.85 CDK9 (0.36) CDK9GRIN1GRIN2BPPARG
SCHEMBL16756405 0.84 GPR6 (0.36) CDK9SPHK1GRIN1GRIN2BPPARG
SCHEMBL16756412 0.83 TNF (0.39) CDK9TNFHDAC3HDAC4HDAC1
SCHEMBL16756465 0.78 PPARD (0.38) PPARDCDK9PPARATNFSPHK1
SCHEMBL15415732 0.77 ALKBH1 (0.36) TNF
SCHEMBL15560797 0.77 GRIN1 (0.41) PPARDPPARATLR7GRIN1GRIN2B
SCHEMBL20258696 0.76 PPARD (0.40) PPARDPPARATNFHDAC1HDAC8
SCHEMBL16756251 0.76 WNT3A (0.41) PPARDCDK9PPARATNFSPHK1
SCHEMBL15560205 0.76 GRIN1 (0.47) PPARDPPARATNFTLR7GRIN1

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 PPARD 537/4885CDK9 1687/4885PPARA 1431/4885

“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.