SCHEMBL13816536

SCHEMBL13816536

CCNC(=O)c1ccc(Cc2cc(OC)c(OC)cc2CC(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ G6PD P11413 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL3107502 0.78 PRMT5 (0.56) NPC1RAB9APRMT5WDR77KMT2A
SCHEMBL6572119 0.77 RAB9A (0.63) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL13816541 0.76 NPC1 (0.52) NPC1RAB9APRMT5WDR77KMT2A
SCHEMBL13816480 0.76 ALDH1A1 (0.50) NPC1RAB9APRMT5WDR77KMT2A
SCHEMBL13816452 0.75 PDK1 (0.50) NPC1RAB9ASMN1; SMN2PRMT5WDR77
SCHEMBL1359984 0.74 PDGFRB (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17204704 0.73 NPC1 (0.65) NPC1RAB9APRMT5WDR77KMT2A
SCHEMBL6336196 0.72 LMNA (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13816310 0.72 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2PRMT5WDR77
SCHEMBL13816308 0.72 MAPT (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA

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 6 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
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 NPC1 3404/4885RAB9A 2089/4885SMN1; SMN2 4788/4885

“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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