SCHEMBL16756319

SCHEMBL16756319

Cc1nc2ccc(C3CCN(C(=O)C(C)C)CC3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.41
▸ TLR8 Q9NR97 2/20 0.41
▸ PDE4B Q07343 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A2 O94788 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PPARD Q03181 2/20 0.36
▸ ACSS2 Q9NR19 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL16756330 0.91 P2RX3 (0.38) TLR8PDE4BMEN1KMT2AACSS2
SCHEMBL16756565 0.89 MEN1 (0.39) TLR9TLR8MEN1KMT2AALDH1A2
SCHEMBL16756314 0.85 ALDH1A1 (0.37) TLR8MEN1KMT2AALDH1A1PPARD
SCHEMBL16756328 0.85 RAB9A (0.39) MEN1KMT2AALDH1A1MAPTHRH3
SCHEMBL16756365 0.85 TLR7 (0.43) TLR9TLR8ACSS2TLR7
SCHEMBL16756251 0.78 WNT3A (0.41) MEN1KMT2APPARDPPARAMAP3K7
SCHEMBL16756406 0.76 PPARD (0.39) MEN1KMT2APPARDPPARAMAP3K7
SCHEMBL16756403 0.76 KDM4E (0.48) MAPTTP53ACSS2
SCHEMBL16756605 0.76 GALR3 (0.40) PPARDPPARATLR7
SCHEMBL16756558 0.76 GALR3 (0.43) LMNATP53TLR7

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 TLR9 2838/4885TLR8 859/4885PDE4B 851/4885

“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.

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