SCHEMBL26220123

SCHEMBL26220123

C=C(NCCCC)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.48
▸ HDAC8 Q9BY41 8/20 0.48
▸ HDAC2 Q92769 7/20 0.48
▸ HDAC3 O15379 5/20 0.48
▸ NPC1 O15118 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ HDAC11 Q96DB2 5/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC10 Q969S8 8/20 0.41
▸ HDAC6 Q9UBN7 8/20 0.41
▸ HDAC4 P56524 4/20 0.41

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
SCHEMBL19939430 0.83 HDAC1 (0.62) HDAC1HDAC8HDAC2HDAC3NPC1
SCHEMBL13104839 0.80 HDAC1 (0.63) HDAC1HDAC8HDAC2HDAC3NPC1
SCHEMBL18874959 0.74 NPC1 (0.58) HDAC1HDAC8HDAC2HDAC3NPC1
SCHEMBL8294740 0.73 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC3NPC1
SCHEMBL17404990 0.73 HDAC1 (0.72) HDAC1HDAC8HDAC2HDAC3KMT2A
SCHEMBL23222118 0.72 LMNA (0.44) HDAC1HDAC2NPC1RAB9AMAPK1
SCHEMBL25958901 0.72 MYC (0.61) HDAC1HDAC8HDAC2HDAC3NPC1
SCHEMBL25645179 0.72 NPC1 (0.68) NPC1KMT2ARAB9AMEN1MAPK1
SCHEMBL18806556 0.71 NPC1 (0.58) HDAC1HDAC8HDAC2HDAC3NPC1
SCHEMBL18806578 0.71 NPC1 (0.58) HDAC1HDAC8HDAC2HDAC3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 — — US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 — — 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-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP HDAC1 4053/4885HDAC8 4417/4885HDAC2 4758/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP HDAC1 4053/4885HDAC8 4417/4885HDAC2 4758/4885

“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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