SCHEMBL16129699

SCHEMBL16129699

COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)C1(N2CCN(C)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 13/20 0.66
▸ MCHR1 Q99705 2/20 0.53
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
Hydrochloric Acid SCHEMBL16099569 0.99 WNT3A (0.65) WNT3AMCHR1HDAC1HDAC8HDAC6
SCHEMBL16098823 0.94 WNT3A (0.66) WNT3AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL17511822 0.94 WNT3A (0.65) WNT3AHDAC1HDAC8HDAC6
SCHEMBL16098623 0.90 WNT3A (0.80) WNT3AKDM4EALDH1A1GAAMAPK1
SCHEMBL16099220 0.89 WNT3A (0.62) WNT3AMCHR1HDAC1HDAC8HDAC6
SCHEMBL17539214 0.87 WNT3A (0.59) WNT3A
SCHEMBL16097404 0.84 WNT3A (0.80) WNT3AKDM4EALDH1A1GAAMAPK1
SCHEMBL16097692 0.84 WNT3A (0.74) WNT3A
SCHEMBL16097733 0.84 WNT3A (0.62) WNT3AHDAC1HDAC8HDAC6
SCHEMBL16098310 0.81 WNT3A (0.67) WNT3AMCHR1ALDH1A1MAPTKMT2A

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 3 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
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 4230/4885MCHR1 4601/4885HDAC1 95/4885

“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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