SCHEMBL4772495

SCHEMBL4772495

CCCC(=O)NCc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
APEX1 P27695 1/20 0.57
RECQL P46063 1/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL25542941 0.87 EPHX2 (0.72) MEN1KMT2AHPGDALDH1A1HDAC3
SCHEMBL18134836 0.85 CYP3A4 (0.65) L3MBTL1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL4773621 0.85 MEN1 (0.65) L3MBTL1MEN1KMT2APOLBTDP1
SCHEMBL17335992 0.84 CYP3A4 (0.63) L3MBTL1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL12992173 0.84 CYP3A4 (0.68) L3MBTL1CYP3A4CYP2C19HPGDALDH1A1
SCHEMBL28313230 0.82 HPGD (0.81) L3MBTL1CYP3A4CYP2C19KMT2APOLB
SCHEMBL8269663 0.82 HPGD (0.81) L3MBTL1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL6824244 0.82 CYP3A4 (0.66) L3MBTL1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL770934 0.81 CYP3A4 (0.87) L3MBTL1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL24242176 0.81 L3MBTL1 (0.59) L3MBTL1MEN1KMT2APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827090-B Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-20 CN disclosed
CN-103827090-A Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INT 2014-05-28 CN disclosed
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 4124/4885CYP3A4 1309/4885CYP2C19 1347/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 L3MBTL1 2776/4885CYP3A4 1325/4885CYP2C19 1788/4885

“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.