SCHEMBL15022982

SCHEMBL15022982

O=C(Cc1ccc(Br)cc1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 4/20 0.58
PLOD2 O00469 2/20 0.47
PLOD3 O60568 2/20 0.47
PLOD1 Q02809 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
GSK3B P49841 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL7433779 0.93 LMNA (0.58) KDM4EKMT2ALMNAALDH1A1GSK3B
SCHEMBL6203734 0.86 ALDH1A1 (0.55) KDM4EKMT2ALMNAPLOD2PLOD3
SCHEMBL8584136 0.86 GSK3B (0.61) KMT2ALMNAHPGDGSK3BNPC1
SCHEMBL29985867 0.86 GSK3B (0.61) KMT2ALMNAHPGDGSK3BNPC1
SCHEMBL1395223 0.81 RAB9A (0.64) KDM4EKMT2APLOD2PLOD3PLOD1
SCHEMBL6101952 0.81 RAB9A (0.66) KMT2ALMNAPLOD2PLOD3PLOD1
SCHEMBL1993655 0.81 L3MBTL1 (0.58) KMT2ALMNAPLOD2PLOD3PLOD1
SCHEMBL1515788 0.81 MAPT (0.56) KDM4EKMT2ALMNACYP3A4HPGD
SCHEMBL1515846 0.81 ALDH1A1 (0.66) KMT2ALMNAPLOD2PLOD3PLOD1
SCHEMBL5424552 0.80 MAPT (0.57) KMT2ALMNAPLOD2PLOD3PLOD1

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 KDM4E 784/4885KMT2A 1162/4885LMNA 3814/4885

“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.