SCHEMBL21394485

SCHEMBL21394485

O=C(Nc1ccc2nncn2c1)c1ccc(Cc2cccc(Cl)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 7/20 0.57
MAOB P27338 1/20 0.47
EGLN1 Q9GZT9 1/20 0.42
FFAR1 O14842 1/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 2/20 0.41
P4HTM Q9NXG6 1/20 0.40
SNCA P37840 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HIF1A Q16665 1/20 0.39
SCD5 Q86SK9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ABL1 P00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL30862015 0.94 MLLT1 (0.51) MLLT1MAOBEGLN1FFAR1AHR
SCHEMBL29357058 0.83 MLLT1 (0.62) MLLT1MAOBMLLT3
SCHEMBL21394869 0.83 MLLT1 (0.62) MLLT1MAOBMLLT3
SCHEMBL21394811 0.80 ALDH1A1 (0.44) FFAR1LMNAP4HTMSNCAMAPT
SCHEMBL29357022 0.80 ALDH1A1 (0.44) FFAR1LMNAP4HTMSNCAMAPT
SCHEMBL22750927 0.78 MLLT1 (0.76) MLLT1MAOBEGLN1LMNAMAPT
SCHEMBL21395249 0.78 LMNA (0.41) FFAR1LMNAP4HTMSNCAMAPT
SCHEMBL29442878 0.76 KCNQ3 (0.46) FFAR1LMNAP4HTMSNCAMAPT
SCHEMBL21394709 0.76 KCNQ3 (0.46) FFAR1LMNAP4HTMSNCAMAPT
SCHEMBL21395109 0.74 P4HTM (0.47) FFAR1LMNAP4HTMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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 (3 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 MLLT1 422/4885MAOB 88/4885EGLN1 799/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MLLT1 1333/4885MAOB 64/4885EGLN1 2445/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 MLLT1 1333/4885MAOB 64/4885EGLN1 2445/4885

“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.