Sugi Predict

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SCHEMBL154383

SCHEMBL154383

Nc1ccc(C#CC#Cc2ccc(C(=O)NC3CCN(O)C3=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.45
▸ CRBN Q96SW2 1/20 0.45
▸ IKZF3 Q9UKT9 1/20 0.45
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ TPSAB1 Q15661 4/20 0.36
▸ TPSD1 Q9BZJ3 4/20 0.36
▸ TPSG1 Q9NRR2 4/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL154944 1.00 DDB1 (0.45) DDB1CRBNIKZF3HDAC1HDAC8
SCHEMBL19262713 0.95 DDB1 (0.47) DDB1CRBNIKZF3HDAC1HDAC8
SCHEMBL15235782 0.88 DDB1 (0.44) DDB1CRBNIKZF3HDAC1HDAC8
SCHEMBL159799 0.88 DDB1 (0.44) DDB1CRBNIKZF3HDAC1HDAC8
SCHEMBL255439 0.86 DDB1 (0.50) DDB1CRBNIKZF3MMP2MMP9
SCHEMBL254239 0.86 DDB1 (0.50) DDB1CRBNIKZF3MMP2MMP9
SCHEMBL157111 0.85 DDB1 (0.39) DDB1CRBNIKZF3MMP2MMP9
SCHEMBL255148 0.85 DDB1 (0.39) DDB1CRBNIKZF3MMP2MMP9
SCHEMBL156868 0.85 DDB1 (0.39) DDB1CRBNIKZF3MMP2MMP9
SCHEMBL19262604 0.83 DDB1 (0.46) DDB1CRBNIKZF3HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 — — US claimed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 — — US claimed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 — — WO claimed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 — — US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 — — US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 — — US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 — — US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 — — US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 — — 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 (2 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-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX DDB1 154/4885CRBN 1273/4885IKZF3 741/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX DDB1 154/4885CRBN 1273/4885IKZF3 741/4885

“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.