SCHEMBL20468614

SCHEMBL20468614

COc1ccc2c(c1)OCCC21NC(=N)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN9A Q15858 4/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
PDK2 Q15119 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL16775285 0.87 TP53 (0.42) CYP19A1GAAKDM4ENPC1ALDH1A1
SCHEMBL20465468 0.84 SMN1; SMN2 (0.39) CYP19A1GAAKDM4EALDH1A1MAPT
SCHEMBL28344489 0.76 DRD2 (0.38) CYP19A1GAAKDM4ENPC1ALDH1A1
SCHEMBL16755703 0.75 CYP3A4 (0.44) CYP19A1GAAKDM4ENPC1ALDH1A1
SCHEMBL16772539 0.71 SMN1; SMN2 (0.40) CYP19A1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4641423 0.70 DRD2 (0.41) CYP19A1KDM4EALDH1A1MAPTHPGD
SCHEMBL31371868 0.70 DRD2 (0.41) CYP19A1KDM4EALDH1A1MAPTHPGD
SCHEMBL31371949 0.70 DRD2 (0.44) CYP19A1KDM4EALDH1A1MAPTHPGD
SCHEMBL11444836 0.67 MAP3K14 (0.41) CYP19A1GAAKDM4EALDH1A1MAPT
SCHEMBL31372096 0.67 DRD2 (0.39) CYP19A1KDM4EMAPTSMN1; SMN2SCN9A

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 CYP19A1 2351/4885GAA 321/4885KDM4E 3978/4885

“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.