SCHEMBL25824651

SCHEMBL25824651

NCCNc1cccc(NCCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
BRD4 O60885 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAOA P21397 2/20 0.47
NPC1 O15118 1/20 0.47
KDM1A O60341 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL3130643 0.85 L3MBTL1 (0.58) L3MBTL1BRD4SMN1; SMN2ALDH1A1LMNA
SCHEMBL24220115 0.83 L3MBTL1 (0.56) L3MBTL1BRD4SMN1; SMN2ALDH1A1LMNA
SCHEMBL21186859 0.80 L3MBTL1 (0.95) L3MBTL1SMN1; SMN2ALDH1A1LMNAMAOA
SCHEMBL24375975 0.80 L3MBTL1 (0.95) L3MBTL1SMN1; SMN2ALDH1A1LMNAMAOA
SCHEMBL88597 0.80 L3MBTL1 (0.95) L3MBTL1SMN1; SMN2ALDH1A1LMNAMAOA
SCHEMBL3903471 0.80 L3MBTL1 (0.66) L3MBTL1BRD4SMN1; SMN2ALDH1A1LMNA
SCHEMBL25825577 0.80 F2 (0.54) NPC1RAB9AGAA
SCHEMBL27501564 0.79 HTR6 (0.47) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3128121 0.79 CA12 (0.52) L3MBTL1BRD4ALDH1A1LMNANPC1
SCHEMBL3415388 0.79 L3MBTL1 (0.63) L3MBTL1BRD4SMN1; SMN2ALDH1A1LMNA

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER L3MBTL1 2438/4885BRD4 3287/4885SMN1; SMN2 39/4885

“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.