SCHEMBL13802475

SCHEMBL13802475

O=C(O)c1ccc2ccn(Cc3cccc(Cl)c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.53
PTGDR Q13258 3/20 0.53
CCR2 P41597 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NR1H4 Q96RI1 2/20 0.48
EPHX2 P34913 1/20 0.48
KMO O15229 1/20 0.48
MCL1 Q07820 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL13802415 0.90 PLAU (0.56) PTGER4PTGDRCCR2KDM4EHDAC3
SCHEMBL6179658 0.89 HDAC1 (0.55) NR1H4EPHX2MCL1HDAC3HDAC4
SCHEMBL1607740 0.86 HDAC1 (0.65) PTGER4PTGDRKDM4EHDAC3HDAC4
SCHEMBL11976525 0.84 LMNA (0.54) PTGER4PTGDRCCR2KDM4EKMO
SCHEMBL2273602 0.82 PLG (0.49) CCR2NR1H4EPHX2MCL1HDAC1
SCHEMBL4250064 0.81 HDAC8 (0.47) PTGER4PTGDRKDM4EHDAC3HDAC4
SCHEMBL4797664 0.80 NR1H4 (0.57) KDM4ENR1H4EPHX2MCL1HDAC3
SCHEMBL14575298 0.80 KDM4E (0.53) PTGER4PTGDRCCR2KDM4ERXRA
SCHEMBL6840263 0.80 HTR6 (0.58) NR1H4EPHX2MCL1HDAC3HDAC4
SCHEMBL28310548 0.80 HDAC8 (0.55) NR1H4EPHX2MCL1HDAC3HDAC4

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 1561/4885PTGDR 2583/4885CCR2 1386/4885

“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.