SCHEMBL4520726

SCHEMBL4520726

Cc1cc(Cl)c(NC(=O)CBr)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4491737 0.79 USP2 (0.51) L3MBTL1ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6213726 0.75 ALDH1A1 (0.54) L3MBTL1TSHRALDH1A1MAPTMAPK1
SCHEMBL4505557 0.73 HSD17B10 (0.56) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL22408524 0.73 TSHR (0.47) L3MBTL1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL4506634 0.72 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL28552164 0.71 RAB9A (0.45) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8810278 0.71 POLB (0.49) ALDH1A1MAPTMAPK1SMN1; SMN2POLB
SCHEMBL6031540 0.68 SMN1; SMN2 (0.58) L3MBTL1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL6327886 0.68 MAPT (0.49) L3MBTL1ALDH1A1MAPTHPGDMEN1
SCHEMBL4214095 0.68 LMNA (0.65) L3MBTL1TSHRALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (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-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 L3MBTL1 4845/4885TSHR 4104/4885ALDH1A1 45/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT L3MBTL1 4724/4885TSHR 4300/4885ALDH1A1 146/4885

“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.