SCHEMBL2004352

SCHEMBL2004352

COC(=O)Cc1ccc(Oc2ccc3[nH]c(C)nc3c2[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 1/20 0.35
FOXO1 Q12778 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2004566 0.90 CYP3A4 (0.39) DCTPP1MAPTKDM4EMEN1KMT2A
SCHEMBL2001572 0.86 ALDH1A1 (0.39) FOXO1ALDH1A1
SCHEMBL14819904 0.83 GFER (0.39) MAPTPOLBFOXO1TDP1ALDH1A1
SCHEMBL14796844 0.77 PTGS2 (0.39) MAPTMEN1KMT2A
SCHEMBL14796846 0.77 PTGS2 (0.39) MAPTMEN1KMT2A
SCHEMBL7483015 0.73 MEN1 (0.54) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL14819909 0.72 PPARD (0.40) MAPTPOLB
SCHEMBL2006548 0.72 LDHA (0.35) MAPTMEN1KMT2APKMTDP1
SCHEMBL2003157 0.72 MAOA (0.44) KDM4ETDP1ALDH1A1
SCHEMBL2000430 0.71 PTGDR2 (0.42) MAPTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
EP-2164828-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION Amgen Inc. (US) 2010-03-24 EP disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 WO disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP DCTPP1 4657/4885MAPT 2290/4885KDM4E 2160/4885

“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.