SCHEMBL22579236

SCHEMBL22579236

Cc1cc(/C=C/C(=O)NOC2CCCCO2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ GPR119 Q8TDV5 6/20 0.39
▸ RET P07949 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NAMPT P43490 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
SCHEMBL22579192 0.90 RET (0.46) RET
SCHEMBL22641747 0.90 MAPT (0.39) HDAC1MAPTALDH1A1LMNAMEN1
SCHEMBL22579295 0.89 HDAC1 (0.42) HDAC1MAPTALDH1A1SMN1; SMN2
SCHEMBL22579255 0.89 MAPT (0.42) HDAC1MAPTALDH1A1LMNAMEN1
SCHEMBL22579307 0.86 HDAC1 (0.38) ABCB1HDAC1GPR119MAPTALDH1A1
SCHEMBL22579223 0.86 KMT2A (0.41) ABCB1HDAC1GPR119MAPTLMNA
SCHEMBL22579238 0.80 ABCB1 (0.51) ABCB1HDAC1GPR119RETMAPT
SCHEMBL22579239 0.80 ABCB1 (0.51) ABCB1HDAC1GPR119RETMAPT
SCHEMBL22641675 0.79 MAPT (0.47) HDAC1MAPTLMNAMEN1KMT2A
SCHEMBL22641632 0.79 HDAC3 (0.50) HDAC1MAPTLMNA

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 ABCB1 1271/4885HDAC1 1/4885GPR119 349/4885

“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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