SCHEMBL15022277

SCHEMBL15022277

N#CC(C(=O)c1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 3/20 0.38
NAPRT Q6XQN6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4461300 0.84 L3MBTL1 (0.50) LMNAESR2HSD17B10L3MBTL1KDM4E
SCHEMBL838079 0.84 L3MBTL1 (0.52) LMNAESR2HSD17B10L3MBTL1KMT2A
SCHEMBL14519387 0.81 L3MBTL1 (0.49) LMNAESR2HSD17B10L3MBTL1KDM4E
SCHEMBL6545507 0.81 HSD17B10 (0.50) LMNAESR2HSD17B10L3MBTL1KDM4E
SCHEMBL6176444 0.78 LTA4H (0.50) LMNAESR2HSD17B10L3MBTL1KDM4E
SCHEMBL5256232 0.78 L3MBTL1 (0.47) LMNAESR2HSD17B10L3MBTL1KMT2A
SCHEMBL13916052 0.75 ESR2 (0.47) ESR2HSD17B10L3MBTL1KMT2AALDH1A1
SCHEMBL8836254 0.75 HSD17B10 (0.47) LMNAESR2HSD17B10L3MBTL1KMT2A
SCHEMBL27950438 0.75 ESR2 (0.47) LMNAESR2HSD17B10L3MBTL1KDM4E
SCHEMBL1251540 0.74 KMT2A (0.41) LMNAKMT2ASMN1; SMN2ALDH1A1CYP1A2

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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 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 (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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF CHRNA10, ATXN10, SCN10A LMNA 3814/4885ESR2 1951/4885HSD17B10 31/4885

“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.