SCHEMBL20964668

SCHEMBL20964668

COc1ccc(N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
KDM4E B2RXH2 1/20 0.72
CYP3A4 P08684 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.69
NPC1 O15118 1/20 0.69
MAPT P10636 3/20 0.62
LMNA P02545 3/20 0.62
MAPK1 P28482 1/20 0.62
AKR1C3 P42330 5/20 0.62
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.56
TP53 P04637 1/20 0.55
TYR P14679 1/20 0.54
KMT2A Q03164 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
SCHEMBL20964721 0.91 L3MBTL1 (0.77) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20964696 0.91 L3MBTL1 (0.77) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20964656 0.91 L3MBTL1 (0.73) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20965458 0.89 L3MBTL1 (0.71) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20965335 0.87 L3MBTL1 (0.66) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20964661 0.86 MAPT (0.71) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20965443 0.85 L3MBTL1 (0.79) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20964544 0.85 L3MBTL1 (0.68) SMN1; SMN2KDM4EL3MBTL1NPC1MAPT
SCHEMBL20965403 0.84 L3MBTL1 (0.78) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL20965411 0.83 L3MBTL1 (0.66) SMN1; SMN2CYP2C9CYP2C19KDM4ECYP3A4

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 SMN1; SMN2 263/4885CYP2C9 69/4885CYP2C19 40/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 SMN1; SMN2 2477/4885CYP2C9 222/4885CYP2C19 162/4885

“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.