SCHEMBL21351995

SCHEMBL21351995

CCS(=O)(=O)Cc1ccc(C(=O)c2ccncc2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 7/20 0.47
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NR2F2 P24468 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL20157342 0.85 SRD5A2 (0.43) LMNAMAPTHTTSMN1; SMN2RAB9A
SCHEMBL20157815 0.84 KMT2A (0.40) LMNAMAPTRAB9ANPC1KMT2A
SCHEMBL20157579 0.84 TP53 (0.38) CCR9LMNAMAPTHTTSMN1; SMN2
SCHEMBL20157411 0.82 NPC1 (0.48) LMNAMAPTHTTSMN1; SMN2RAB9A
SCHEMBL21550039 0.82 CCR9 (0.33) CCR9LMNAMAPTHTTSMN1; SMN2
SCHEMBL21362746 0.81 TAS1R3 (0.35) CCR9MAPTHTTSMN1; SMN2
SCHEMBL20158073 0.80 LMNA (0.46) CCR9LMNAMAPTHTTSMN1; SMN2
SCHEMBL21362184 0.79 CCR9 (0.42) CCR9LMNAMAPTHTTSMN1; SMN2
SCHEMBL20157485 0.76 ALDH1A1 (0.41) MAPTNPC1KMT2A
SCHEMBL21564734 0.75 RECQL (0.40) LMNAMAPTHTTKMT2A

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 CCR9 2718/4885LMNA 2333/4885MAPT 237/4885

“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.