SCHEMBL22579296

SCHEMBL22579296

O=C(/C=C/c1ccc(-c2ccc(-n3ccnc3)cc2)cc1)NOC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.43
▸ MLLT1 Q03111 1/20 0.41
▸ ADH5 P11766 1/20 0.40
▸ PORCN Q9H237 3/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ CYP21A2 P08686 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL22579300 0.89 ADH5 (0.48) MAOBMLLT1ADH5TGFBR1CYP17A1
SCHEMBL22641730 0.82 MAPT (0.48) MAOBMGLLTGFBR1HTTKDM4E
SCHEMBL22641675 0.82 MAPT (0.47) MGLLTGFBR1KDM4EMEN1MAPT
SCHEMBL8326205 0.81 TBXAS1 (0.53) CYP3A4CYP2D6CYP17A1CYP21A2CYP11B1
SCHEMBL38654486 0.80 TRPM8 (0.41) MAOBMGLLTGFBR1KDM4EALDH1A1
SCHEMBL4819507 0.80 TRPM8 (0.41) MAOBMGLLTGFBR1KDM4EALDH1A1
SCHEMBL22641744 0.80 TGFBR1 (0.36) MGLLTGFBR1
SCHEMBL22641632 0.79 HDAC3 (0.50) MGLLESR1KDM4EMAPT
SCHEMBL1579761 0.78 MGLL (0.43) MAOBMGLLTGFBR1ESR1KDM4E
SCHEMBL1579763 0.78 MGLL (0.43) MAOBMGLLTGFBR1ESR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 295/4885MLLT1 203/4885ADH5 2317/4885

“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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