SCHEMBL16129687

SCHEMBL16129687

NC(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ WNT3A P56704 9/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL16098478 0.93 ALDH1A1 (0.57) ALDH1A1KDM4EWNT3ASMN1; SMN2LMNA
SCHEMBL16098430 0.93 WNT3A (0.59) ALDH1A1WNT3ASMN1; SMN2LMNAMAPT
SCHEMBL16129627 0.90 WNT3A (0.59) ALDH1A1WNT3ASMN1; SMN2LMNAMAPT
SCHEMBL16097297 0.90 WNT3A (0.73) ALDH1A1WNT3ASMN1; SMN2MAPTALOX15
SCHEMBL16097288 0.89 WNT3A (0.57) ALDH1A1KDM4EWNT3ASMN1; SMN2LMNA
SCHEMBL16129727 0.89 WNT3A (0.60) ALDH1A1WNT3ASMN1; SMN2LMNAMAPT
SCHEMBL16097700 0.88 HDAC1 (0.63) ALDH1A1WNT3ASMN1; SMN2LMNAMAPT
SCHEMBL16129688 0.88 WNT3A (0.55) ALDH1A1WNT3ASMN1; SMN2LMNAMAPT
SCHEMBL16129698 0.88 WNT3A (0.59) WNT3ASMN1; SMN2MAPTALOX15
SCHEMBL16099313 0.87 WNT3A (0.59) ALDH1A1WNT3ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 325/4885KDM4E 995/4885WNT3A 4230/4885

“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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