SCHEMBL16449792

SCHEMBL16449792

CN(C)CC(C)(C)CNC(=S)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.30

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
SCHEMBL16450792 0.81 KDM4E (0.40) KDM4EPOLBTDP1SIGMAR1ALDH1A1
SCHEMBL16449778 0.76 KDM4E (0.41) KDM4EPOLBTDP1SIGMAR1ALDH1A1
SCHEMBL14501026 0.75 KDM4E (0.44) KDM4EPOLBTDP1SIGMAR1ALDH1A1
SCHEMBL5668959 0.72 KDM4E (0.45) KDM4EPOLBTDP1SIGMAR1ALDH1A1
SCHEMBL680376 0.72 KMT2A (0.35) KDM4ESIGMAR1KMT2A
SCHEMBL10165814 0.71 KDM4E (0.38) KDM4EPOLBTDP1SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL2746283 0.69 KDM4E (0.37) KDM4EPOLBTDP1SIGMAR1ALDH1A1
SCHEMBL12608292 0.69 KDM4E (0.43) KDM4EPOLBTDP1SIGMAR1ALDH1A1
SCHEMBL5924166 0.68 KDM4E (0.36) KDM4EPOLBTDP1SIGMAR1ALDH1A1
SCHEMBL18347974 0.68 KDM4E (0.42) KDM4EPOLBTDP1SIGMAR1ALDH1A1

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-9447136-B2 Semisynthetic derivatives of Nystatin A1 BLIRT S.A. (PL) 2016-09-20 US disclosed
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 BLIRT S.A. (PL) 2015-02-12 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-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 NPC1, NPC1L1, LSS KDM4E 4828/4885POLB 1534/4885TDP1 2961/4885

“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.