SCHEMBL22579307

SCHEMBL22579307

Cc1cc(/C=C/C(=O)NOC2CCCCO2)ccc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1NC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ CCR8 P51685 1/20 0.37
▸ ABCB1 P08183 4/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ PARP14 Q460N5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 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
SCHEMBL22579223 0.95 KMT2A (0.41) HDAC1KCNH2ABCB1MEN1CYP2C19
SCHEMBL22579236 0.86 ABCB1 (0.41) HDAC1ABCB1PDK2MEN1CYP2C19
SCHEMBL22579229 0.81 SMN1; SMN2 (0.42) HDAC1KCNH2CCR8ABCB1PDK2
SCHEMBL22579192 0.79 RET (0.46) —
SCHEMBL22641703 0.76 KMT2A (0.49) HDAC1KCNH2ABCB1PDK2MEN1
SCHEMBL22641747 0.76 MAPT (0.39) HDAC1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22579295 0.75 HDAC1 (0.42) HDAC1KCNH2KDM4ESMN1; SMN2LTB4R
SCHEMBL22579335 0.75 KMT2A (0.53) HDAC1KCNH2ABCB1PDK2KDM4E
SCHEMBL22579255 0.75 MAPT (0.42) HDAC1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22579353 0.74 KMT2A (0.55) PDK2KDM4EMEN1CYP2C19KMT2A

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 HDAC1 1/4885KCNH2 833/4885CCR8 2701/4885

“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.

Send feedback