SCHEMBL3173586

SCHEMBL3173586

O=C(NCCN(CCC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ WNT3A P56704 1/20 0.47
▸ HAT1 O14929 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ POLB P06746 1/20 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
SCHEMBL3168994 0.89 HDAC1 (0.47) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL3159511 0.79 EPHX2 (0.51) POLBALDH1A1MAPTL3MBTL1EPHX2
SCHEMBL3175180 0.78 CREBBP (0.46) KMT2AHDAC1HDAC2EP300ALDH1A1
SCHEMBL3159433 0.77 CDK4 (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3174377 0.77 KMT2A (0.50) MEN1KMT2ANPC1HDAC1HDAC2
SCHEMBL4426339 0.77 MEN1 (0.49) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL3169588 0.75 EPHX2 (0.41) EPHX2
SCHEMBL20267057 0.74 HDAC1 (0.62) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL3164868 0.73 PTGDR2 (0.40) KMT2AALDH1A1MAPTEPHX2
SCHEMBL9165425 0.73 EGFR (0.59) MEN1KMT2ANPC1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 — — EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — WO 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 MEN1 3534/4885KMT2A 2733/4885NPC1 1598/4885

“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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