SCHEMBL19090765

SCHEMBL19090765

CCC(C)NNc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CXCR4 P61073 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 2/20 0.41
FABP1 P07148 1/20 0.41
FABP6 P51161 1/20 0.41
GRM5 P41594 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL20988260 0.84 GAA (0.45) CXCR4KDM4EHTTNPSR1L3MBTL1
SCHEMBL24568583 0.81 HCAR3 (0.50) POLBCXCR4KDM4EHTTNPSR1
SCHEMBL6442872 0.81 HCAR3 (0.50) POLBCXCR4KDM4EHTTNPSR1
SCHEMBL4779782 0.81 MEN1 (0.47) POLBCXCR4KDM4EALDH1A1MEN1
SCHEMBL9847026 0.76 KDM4E (0.49) POLBCXCR4KDM4EHTTNPSR1
SCHEMBL19091376 0.75 CYP2C19 (0.53) POLBCXCR4KDM4EHTTALDH1A1
SCHEMBL10405315 0.73 MEN1 (0.61) POLBCXCR4KDM4ENPSR1ALDH1A1
SCHEMBL2775016 0.73 CXCR4 (0.47) CXCR4HTTMEN1KMT2AMAPK10
SCHEMBL21018364 0.71 TLR8 (0.47) POLBCXCR4KDM4EHTTNPSR1
SCHEMBL13155604 0.71 KDM4E (0.45) POLBCXCR4KDM4EHTTNPSR1

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-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 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 (2 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 POLB 801/4885CXCR4 1503/4885KDM4E 1641/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 POLB 801/4885CXCR4 1503/4885KDM4E 1641/4885

“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.