SCHEMBL5887573

SCHEMBL5887573

Cc1ccc(-c2[c]c(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALKBH3 Q96Q83 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.35
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 3/20 0.33

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
SCHEMBL4810852 0.87 ALDH1A1 (0.41) KDM4EALDH1A1MAPTLMNACYP1A2
SCHEMBL4803296 0.86 KDM4E (0.43) KDM4EALDH1A1MAPTLMNACYP1A2
SCHEMBL4810212 0.85 KDM4E (0.40) KDM4EALDH1A1MAPTLMNACYP1A2
SCHEMBL5886847 0.80 KDM4E (0.41) KDM4EALDH1A1MAPTLMNACYP1A2
SCHEMBL2853501 0.78 ALDH1A1 (0.38) KDM4EALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL5886864 0.77 KIF11 (0.38) KDM4EALDH1A1CYP1A2CYP2C19GPR84
SCHEMBL1035955 0.73 ALDH1A1 (0.40) KDM4EALDH1A1MAPTLMNACYP1A2
SCHEMBL5887050 0.72 RAB9A (0.38) KDM4EALDH1A1MAPTALKBH3CYP1A2
SCHEMBL10352837 0.71 ALDH1A1 (0.41) KDM4EALDH1A1MAPTLMNACYP1A2
SCHEMBL5886881 0.71 KDM4E (0.48) KDM4EALDH1A1MAPTLMNACYP1A2

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R KDM4E 3706/4885ALDH1A1 1572/4885MAPT 2577/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R KDM4E 3040/4885ALDH1A1 1501/4885MAPT 4745/4885

“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.