SCHEMBL25839780

SCHEMBL25839780

CCOC(=O)c1c(Br)nn2c(N(Cc3ccccc3)Cc3ccccc3)c(-c3ccccc3)c(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.40
AR P10275 1/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 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
SCHEMBL25117842 0.91 MAPT (0.48) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL28928890 0.87 POLB (0.34) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL25117860 0.84 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL28928898 0.81 POLB (0.44) MAPTALDH1A1GAANPSR1MEN1
SCHEMBL25839704 0.81 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL25117849 0.75 MAPT (0.55) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL25117981 0.74 MAPT (0.56) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL25117977 0.72 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL28994151 0.72 HSD17B10 (0.38) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL23415010 0.71 MAPK1 (0.42) MAPTALDH1A1SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
CN-113754682-B Compound having macrocyclic structure and use thereof 赛诺哈勃药业(成都)有限公司 2023-01-06 CN 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 (1 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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 MAPT 298/4885ALDH1A1 4689/4885SMN1; SMN2 1720/4885

“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.