SCHEMBL22579263

SCHEMBL22579263

Cc1cc(/C=C/C(=O)NO)ccc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HDAC4 P56524 5/20 0.53
▸ HDAC1 Q13547 5/20 0.53
▸ HDAC8 Q9BY41 5/20 0.53
▸ HDAC6 Q9UBN7 5/20 0.53
▸ HDAC3 O15379 4/20 0.53
▸ HDAC7 Q8WUI4 4/20 0.53
▸ HDAC2 Q92769 4/20 0.53
▸ HDAC10 Q969S8 4/20 0.53
▸ HDAC11 Q96DB2 4/20 0.53
▸ HDAC9 Q9UKV0 4/20 0.53
▸ HDAC5 Q9UQL6 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEF2D Q14814 1/20 0.52
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49

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
SCHEMBL22579221 0.91 PTGS2 (0.53) MAPTHDAC4HDAC1HDAC8HDAC6
SCHEMBL22579251 0.89 HDAC4 (0.50) HDAC4HDAC1HDAC8HDAC6HDAC3
SCHEMBL22579264 0.89 HDAC3 (0.64) HDAC4HDAC1HDAC8HDAC6HDAC3
SCHEMBL22579324 0.88 MAPT (0.51) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL22579258 0.86 MAPT (0.46) MAPTLMNAHDAC4HDAC1HDAC8
SCHEMBL22579262 0.85 MAPT (0.64) MAPTLMNAHDAC4HDAC1HDAC8
SCHEMBL22641695 0.81 ALOX5 (0.42) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL22579292 0.80 ALDH1A3 (0.50) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL1481910 0.80 HDAC4 (0.58) MAPTLMNAHDAC4HDAC1HDAC8
SCHEMBL22579202 0.78 FGFR1 (0.50) MAPTKDM4EMEN1KMT2ASMN1; SMN2

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
EP-3736266-A1 COMPOUND SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF Peking University Shenzhen Graduate School (CN) 2020-11-11 — — EP disclosed
US-20200331882-A1 COMPOUND FOR SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2020-10-22 — — 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-20200331882-A1 COMPOUND FOR SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF HDAC1, HDAC3, HDAC11 MAPT 4614/4885LMNA 1208/4885HDAC4 18/4885

“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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