SCHEMBL13816480

SCHEMBL13816480

CCNC(=O)c1ccc(C(=O)c2cc(CC(=O)OC)ccc2OC)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ G6PD P11413 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL13816489 0.84 LMNA (0.44) ALDH1A1LMNANPC1RAB9ACYP3A4
SCHEMBL13816427 0.81 HTT (0.52) ALDH1A1KMT2ALMNAMEN1G6PD
SCHEMBL13816310 0.79 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL13816541 0.78 NPC1 (0.52) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL20424972 0.78 PDGFRB (0.43) ALDH1A1CYP3A4TSHRPOLBMAPT
SCHEMBL13816536 0.76 NPC1 (0.49) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL13816308 0.75 MAPT (0.56) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3107502 0.75 PRMT5 (0.56) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL6986744 0.74 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL17204704 0.73 NPC1 (0.65) ALDH1A1KMT2ALMNAMEN1NPC1

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-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 — — US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 — — US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 — — US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 — — US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 — — 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-20080085891-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 ALDH1A1 763/4885KMT2A 2354/4885LMNA 4770/4885

“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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