SCHEMBL16129702

SCHEMBL16129702

COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)C1(N2CCOCC2)CCC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 18/20 0.75
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL16097404 0.96 WNT3A (0.80) WNT3AKDM4EALDH1A1GAAMAPK1
SCHEMBL16098623 0.91 WNT3A (0.80) WNT3AKDM4EALDH1A1GAAMAPK1
SCHEMBL17539224 0.88 WNT3A (0.68) WNT3A
SCHEMBL16098081 0.87 WNT3A (0.69) WNT3A
SCHEMBL16098823 0.86 WNT3A (0.66) WNT3A
SCHEMBL16098203 0.86 WNT3A (1.00) WNT3A
Hydrochloric Acid SCHEMBL17511822 0.86 WNT3A (0.65) WNT3A
SCHEMBL16098157 0.85 WNT3A (0.81) WNT3A
SCHEMBL16098458 0.85 WNT3A (0.74) WNT3A
SCHEMBL16097599 0.85 WNT3A (0.67) WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 — — US claimed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 — — US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 — — US disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 — — 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-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 WNT3A 4230/4885KDM4E 995/4885ALDH1A1 325/4885

“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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