SCHEMBL2007693

SCHEMBL2007693

O=C(NC(CBr)CCCN1C(=O)c2ccccc2C1=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
CTRB1 P17538 2/20 0.47
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MMP2 P08253 1/20 0.42

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
SCHEMBL15827332 0.90 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL2010522 0.90 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL2004222 0.84 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL8968592 0.84 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL12087999 0.81 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL15827333 0.81 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL12088102 0.80 SIRT2 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL12571324 0.80 CTSL (0.59) CTRB1
SCHEMBL19295619 0.79 HTT (0.51) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL408911 0.79 TDP1 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964601-B2 Agonist or antgonist and binders and inversion of agonist PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
US-20080234289-A1 Melanocortin Receptor-Specific Compounds PALATIN TECHNOLOGIES, INC. (US) 2008-09-25 US disclosed
EP-1622618-A4 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES INC (US) 2008-08-27 EP disclosed
EP-1425029-A4 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES PALATIN TECHNOLOGIES INC (US) 2006-06-07 EP disclosed
EP-1622618-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS Palatin Technologies, Inc. (US) 2006-02-08 EP disclosed
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2005-08-11 US disclosed
WO-2004098602-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2004-11-18 WO disclosed
US-20040224957-A1 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2004-11-11 US disclosed
US-20040171520-A1 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. 2004-09-02 US disclosed
EP-1425029-A1 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES Palatin Technologies, Inc. (US) 2004-06-09 EP disclosed
WO-2003013571-A1 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2003-02-20 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 (4 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-20040171520-A1 Peptidomimetics of biologically active metallopeptides MC1R, MC4R, MC5R CYP3A4 3806/4885CYP2D6 2484/4885CYP2C9 4322/4885
US-20080234289-A1 Melanocortin Receptor-Specific Compounds MC1R, MC3R, MC5R CYP3A4 2965/4885CYP2D6 2193/4885CYP2C9 2450/4885
US-20040224957-A1 Melanocortin receptor-specific compounds MC1R, MC5R, MC3R CYP3A4 2117/4885CYP2D6 1727/4885CYP2C9 2411/4885
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders MC3R, MC4R, MC1R CYP3A4 2689/4885CYP2D6 1768/4885CYP2C9 2245/4885

“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.