SCHEMBL16756255

SCHEMBL16756255

CCOC(=O)C1CC=C(c2ncc(-c3cc4c(cc3F)nc(C)n4Cc3cc(Cl)ccc3OC(F)F)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
TNF P01375 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
CCR5 P51681 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GPR6 P46095 1/20 0.32
ENPP2 Q13822 1/20 0.32
EIF4EBP1 Q13541 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16756451 0.93 TSHR (0.36) TSHRCDK9CCNT1TNFGPR6
SCHEMBL16756412 0.91 TNF (0.39) CDK9CCNT1TNFALDH1A1GAA
SCHEMBL16756334 0.90 CDK9 (0.36) TSHRCDK9CCNT1L3MBTL1ALDH1A1
SCHEMBL16756405 0.83 GPR6 (0.36) TSHRCDK9CCNT1L3MBTL1KMT2A
SCHEMBL16756526 0.78 TNF (0.41) TNFALDH1A1GAAKMT2AMEN1
SCHEMBL16756450 0.77 TNF (0.38) TSHRTNFGPR6EIF4EBP1
SCHEMBL16756364 0.77 TNF (0.38) TSHRTNFGPR6EIF4EBP1
SCHEMBL16756325 0.76 TNF (0.41) TNF
SCHEMBL16756509 0.75 PPARD (0.36) CDK9TNF
SCHEMBL16756404 0.73 TNF (0.43) TNF

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 TSHR 1696/4885CDK9 1687/4885CCNT1 4233/4885

“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.