SCHEMBL5887230

SCHEMBL5887230

COc1ccc(-c2[c]c(-c3ccccc3Cl)cc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
ALOX5 P09917 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
ACACA Q13085 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
PIK3CD O00329 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL5886881 0.85 KDM4E (0.48) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5886847 0.85 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5887333 0.79 LTA4H (0.49) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5887465 0.75 ABL1 (0.41) KDM4EMAPTALDH1A1SMN1; SMN2ABL1
SCHEMBL5886872 0.73 MAPT (0.48) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2853501 0.72 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL5681041 0.72 ABL1 (0.60) MAPTSMN1; SMN2TDP1ABL1ABCB1
SCHEMBL4810852 0.68 ALDH1A1 (0.41) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1035955 0.67 ALDH1A1 (0.40) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL5887011 0.67 MEN1 (0.45) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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 3706/4885MAPT 2577/4885ALDH1A1 1572/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R KDM4E 3040/4885MAPT 4745/4885ALDH1A1 1501/4885

“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.