SCHEMBL13802469

SCHEMBL13802469

O=C(O)c1ccc2c(c1)CCN2Cc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HDAC10 Q969S8 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
ALOX5 P09917 1/20 0.50
CYP2C19 P33261 2/20 0.47
NR4A2 P43354 1/20 0.47
MAPT P10636 2/20 0.47
CYP2C9 P11712 1/20 0.47
EPHX2 P34913 1/20 0.46
ACHE P22303 2/20 0.46

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
SCHEMBL697874 0.90 ALOX5 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15958976 0.85 ALOX5 (0.47) PTGER4HDAC1HDAC6HDAC8HDAC3
SCHEMBL6840223 0.82 PTGER4 (0.64) PTGER4ALOX5NR4A2PTGER2
SCHEMBL9185669 0.81 ALDH1A1 (0.49) ALOX5MAPTACHE
SCHEMBL16383686 0.81 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL28247407 0.80 HDAC1 (0.63) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL18572549 0.80 CYP2D6 (0.55) PTGER4HDAC1HDAC6HDAC8HDAC3
SCHEMBL6840328 0.80 ACHE (0.54) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL6177893 0.79 ACHE (0.63) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL7706261 0.79 ACHE (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4

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
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 PTGER4 1561/4885HDAC1 3526/4885HDAC6 470/4885

“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.