SCHEMBL5600846

SCHEMBL5600846

O=C(NC1(C(=O)O)CCCC1)c1cc2ccc(Br)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
TACR2 P21452 5/20 0.46
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
DHPS P49366 1/20 0.44
HDAC1 Q13547 10/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
ADORA1 P30542 1/20 0.40

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
SCHEMBL415446 0.85 HDAC3 (0.60) CHRNA7TACR2HDAC1HDAC3HDAC4
SCHEMBL5600774 0.83 HDAC3 (0.57) TACR2HDAC1HDAC3HDAC4HDAC7
SCHEMBL1837268 0.82 HDAC3 (0.56) TACR2HDAC1HDAC3HDAC4HDAC7
SCHEMBL5599694 0.76 DHODH (0.47) MEN1RAB9AKMT2A
SCHEMBL3428350 0.74 CTSL (0.62) MEN1RAB9AKMT2A
SCHEMBL20612373 0.73 LMNA (0.54) CHRNA7MEN1RAB9AKMT2ADHPS
SCHEMBL30151656 0.73 BCL2L1 (0.59) CHRNA7MEN1RAB9AKMT2ADHPS
SCHEMBL498133 0.73 BCL2L1 (0.59) CHRNA7MEN1RAB9AKMT2ADHPS
SCHEMBL17433469 0.72 MEN1 (0.61) CHRNA7MEN1RAB9AKMT2ADHPS
SCHEMBL22869806 0.70 MEN1 (0.48) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN disclosed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP disclosed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US disclosed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2003-05-08 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-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 CHRNA7 695/4885TACR2 3/4885MEN1 386/4885

“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.