SCHEMBL22579255

SCHEMBL22579255

Cc1cc(/C=C/C(=O)NOC2CCCCO2)ccc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ LTB4R Q15722 1/20 0.37
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ MEF2D Q14814 1/20 0.37

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
SCHEMBL22641747 0.96 MAPT (0.39) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL22579295 0.93 HDAC1 (0.42) MAPTKDM4EALDH1A1RAB9AHDAC1
SCHEMBL22579236 0.89 ABCB1 (0.41) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL22641730 0.88 MAPT (0.48) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL22641675 0.84 MAPT (0.47) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL22579300 0.84 ADH5 (0.48) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL22641632 0.82 HDAC3 (0.50) MAPTKDM4ELMNAHDAC1HDAC4
SCHEMBL22579263 0.81 MAPT (0.53) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL22579258 0.80 MAPT (0.46) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL22579324 0.78 MAPT (0.51) MAPTKDM4ELMNAKMT2AMEN1

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 4614/4885KDM4E 80/4885LMNA 1208/4885

“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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