SCHEMBL19745091

SCHEMBL19745091

Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.73
NPC1 O15118 1/20 0.73
SMN1; SMN2 Q16637 7/20 0.70
LMNA P02545 7/20 0.70
KDM4E B2RXH2 5/20 0.70
HTT P42858 5/20 0.58
ALDH1A1 P00352 5/20 0.54
GLA P06280 1/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC6A9 P48067 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL20964572 0.87 L3MBTL1 (0.62) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20965305 0.85 L3MBTL1 (0.66) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL19747665 0.85 L3MBTL1 (1.00) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20965401 0.84 LMNA (0.68) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20965337 0.82 L3MBTL1 (0.63) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20964721 0.82 L3MBTL1 (0.77) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20964656 0.81 L3MBTL1 (0.73) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20964544 0.81 L3MBTL1 (0.68) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20965449 0.81 L3MBTL1 (0.67) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E
SCHEMBL20964596 0.80 L3MBTL1 (0.64) L3MBTL1NPC1SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3471729-A1 THERAPEUTIC COMPOUNDS Rutgers, the State University of New Jersey (US) 2019-04-24 EP claimed
WO-2017222930-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-28 WO claimed
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 11/4885SMN1; SMN2 263/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 L3MBTL1 4517/4885NPC1 2196/4885SMN1; SMN2 2477/4885

“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.