SCHEMBL6322745

SCHEMBL6322745

Cc1cc2c(Cl)nccc2cc1NC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.49
KMT5C Q86Y97 2/20 0.49
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHRM4 P08173 2/20 0.41
MAPT P10636 2/20 0.40
EIF2AK2 P19525 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
NSD2 O96028 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 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
SCHEMBL28050648 0.75 KMT5B (0.57) KMT5BKMT5CALDH1A1KDM4EL3MBTL1
SCHEMBL15427882 0.74 CYP3A4 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL18300448 0.71 PARG (0.38) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL19917166 0.71 KMT5B (0.52) KMT5BKMT5CALDH1A1KDM4EL3MBTL1
SCHEMBL6326650 0.70 ROCK1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTCRHBP
SCHEMBL5982550 0.70 MAPT (0.46) KMT5BKMT5CALDH1A1KDM4EL3MBTL1
SCHEMBL21482922 0.69 KMT2A (0.49) KMT5BKMT5CALDH1A1KDM4EL3MBTL1
SCHEMBL6329383 0.69 LMNA (0.50) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL15428069 0.68 PARG (0.37) LMNAMAPTPDE10A
SCHEMBL7214223 0.68 CYP3A4 (0.38) KDM4ELMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 WO 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 KMT5B 3956/4885KMT5C 2685/4885ALDH1A1 1078/4885

“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.