SCHEMBL20468554

SCHEMBL20468554

COc1c(N)cc2c(c1N)OCCC21OC(=O)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.37
SSTR5 P35346 1/20 0.37
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
AVPR1A P37288 2/20 0.32
GAA P10253 1/20 0.32
NPY5R Q15761 3/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL16775287 0.80 PRMT1 (0.40) NPSR1SSTR5CYP2C9CYP2C19CYP3A4
SCHEMBL16755703 0.71 CYP3A4 (0.44) CYP3A4HTTSMN1; SMN2AVPR1AGAA
SCHEMBL16772471 0.71 PRMT1 (0.42) NPSR1L3MBTL1SMN1; SMN2POLBAVPR1A
SCHEMBL16772538 0.68 MEN1 (0.59) NPSR1CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL16772402 0.67 NPSR1 (0.45) NPSR1CYP2C19CYP3A4HTTL3MBTL1
SCHEMBL20080293 0.64 MAPT (0.56) NPSR1CYP2C19CYP3A4HTTL3MBTL1
SCHEMBL9038970 0.64 CYP3A4 (0.46) NPSR1SSTR5CYP2C9CYP2C19CYP3A4
SCHEMBL20468616 0.64 MAPT (0.39) NPSR1CYP2C19CYP3A4HTTL3MBTL1
SCHEMBL9039746 0.62 HCAR2 (0.54) NPSR1CYP3A4L3MBTL1SMN1; SMN2POLB
SCHEMBL18932748 0.61 AKR1C1 (0.68) NPSR1CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A NPSR1 4121/4885SSTR5 4156/4885CYP2C9 2821/4885

“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.