SCHEMBL4774229

SCHEMBL4774229

CCCNC(=O)Cc1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
KDM4E B2RXH2 1/20 0.69
GLA P06280 1/20 0.69
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.60
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
HPGD P15428 1/20 0.58
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50

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
SCHEMBL4769268 0.90 HPGD (0.73) L3MBTL1KDM4EGLAKMT2AMEN1
SCHEMBL6745278 0.87 TRPV1 (0.65) L3MBTL1KDM4EGLAKMT2AMEN1
SCHEMBL4764012 0.85 KMT2A (0.65) L3MBTL1KDM4EGLAKMT2AMEN1
SCHEMBL9327260 0.84 ESRRB (0.60) L3MBTL1KDM4EGLALMNAHPGD
SCHEMBL8237044 0.84 HPGD (0.81) L3MBTL1KMT2AMEN1LMNAHPGD
SCHEMBL13481192 0.82 ALDH1A1 (0.61) L3MBTL1KMT2AMEN1LMNACNR1
SCHEMBL12082078 0.82 HPGD (0.58) L3MBTL1KDM4EGLALMNAHPGD
SCHEMBL1927410 0.81 HPGD (0.66) KMT2AMEN1LMNACNR1HPGD
SCHEMBL849368 0.81 L3MBTL1 (0.63) L3MBTL1KDM4EGLAKMT2AMEN1
SCHEMBL15679865 0.80 MEN1 (0.72) L3MBTL1KDM4EGLAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 L3MBTL1 4124/4885KDM4E 1050/4885GLA 4101/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 L3MBTL1 2776/4885KDM4E 1058/4885GLA 4335/4885

“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.