SCHEMBL16756565

SCHEMBL16756565

Cc1nc2ccc(C3CCN(C(=O)C4CCC4)CC3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAP3K7 O43318 2/20 0.39
▸ TAB1 Q15750 2/20 0.39
▸ ALDH1A2 O94788 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALDH2 P05091 2/20 0.38
▸ ALDH3A1 P30838 2/20 0.38
▸ ALDH1A3 P47895 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ TLR9 Q9NR96 3/20 0.36
▸ TLR8 Q9NR97 3/20 0.36
▸ TLR7 Q9NYK1 3/20 0.36
▸ RORC P51449 2/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 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
SCHEMBL16756319 0.89 TLR9 (0.41) MEN1KMT2AMAP3K7TAB1ALDH1A2
SCHEMBL16756330 0.88 P2RX3 (0.38) MEN1KMT2AMAP3K7TAB1HRH3
SCHEMBL16756314 0.83 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4ETLR8
SCHEMBL16756328 0.83 RAB9A (0.39) MEN1KMT2AMAP3K7TAB1ALDH1A1
SCHEMBL16756365 0.83 TLR7 (0.43) TLR9TLR8TLR7
SCHEMBL16756251 0.78 WNT3A (0.41) MEN1KMT2AMAP3K7TAB1PPARD
SCHEMBL16756406 0.76 PPARD (0.39) MEN1KMT2AMAP3K7TAB1TLR7
SCHEMBL16756605 0.74 GALR3 (0.40) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL16756403 0.74 KDM4E (0.48) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL16756465 0.74 PPARD (0.38) TLR7PPARDPPARA

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 MEN1 3836/4885KMT2A 3732/4885MAP3K7 562/4885

“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.

Send feedback