SCHEMBL18656325

SCHEMBL18656325

Cc1ccn2c(C(=O)NCc3cccc(S(F)(F)(F)(F)F)c3)c(C)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 4/20 0.48
KDM4E B2RXH2 3/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18656570 0.89 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL17676255 0.88 GAA (0.55) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL17676515 0.86 GAA (0.51) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL18656652 0.86 HTT (0.46) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL1768316 0.85 KDM4E (0.60) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL19723587 0.84 KMT2A (0.52) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL19723548 0.84 DDT (0.50) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL19723547 0.82 LMNA (0.61) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL17676260 0.81 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTL3MBTL1GAA
SCHEMBL17676521 0.81 ROCK2 (0.50) SMN1; SMN2LMNAHTTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 US disclosed
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 US disclosed
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 US disclosed
US-20180265506-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-09-20 US disclosed
WO-2017049321-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION MILLER MARVIN J (US) 2017-03-23 WO 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 (4 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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 SMN1; SMN2 3362/4885LMNA 1620/4885HTT 4525/4885
US-20180265506-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 SMN1; SMN2 3362/4885LMNA 1620/4885HTT 4525/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 SMN1; SMN2 3362/4885LMNA 1620/4885HTT 4525/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 SMN1; SMN2 3362/4885LMNA 1620/4885HTT 4525/4885

“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.