SCHEMBL20964696

SCHEMBL20964696

COc1cccc(N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.77
NPC1 O15118 2/20 0.77
AKR1C3 P42330 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
LMNA P02545 3/20 0.54
TSHR P16473 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
ALOX15 P16050 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL20965443 0.91 L3MBTL1 (0.79) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E
SCHEMBL20964668 0.91 SMN1; SMN2 (0.72) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E
SCHEMBL20965403 0.90 L3MBTL1 (0.78) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E
SCHEMBL20964721 0.90 L3MBTL1 (0.77) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E
SCHEMBL19747665 0.87 L3MBTL1 (1.00) L3MBTL1NPC1SMN1; SMN2KDM4ECYP3A4
SCHEMBL20965335 0.85 L3MBTL1 (0.66) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E
SCHEMBL20964656 0.85 L3MBTL1 (0.73) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E
SCHEMBL20965458 0.85 L3MBTL1 (0.71) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E
SCHEMBL20964601 0.83 LMNA (0.80) L3MBTL1NPC1SMN1; SMN2KDM4ECYP3A4
SCHEMBL20964544 0.83 L3MBTL1 (0.68) L3MBTL1NPC1AKR1C3SMN1; SMN2KDM4E

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-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 L3MBTL1 4755/4885NPC1 11/4885AKR1C3 342/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 L3MBTL1 4517/4885NPC1 2196/4885AKR1C3 1717/4885

“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.