SCHEMBL4589019

SCHEMBL4589019

[CH2]NC(=O)c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.68
CA2 P00918 5/20 0.68
PLK1 P53350 1/20 0.68
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
TP53 P04637 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALOX15 P16050 1/20 0.63
F10 P00742 2/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PKM P14618 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL8717056 0.83 PLK1 (0.80) CA1CA2PLK1NPC1RAB9A
SCHEMBL11705060 0.83 MAPT (0.79) CA1CA2PLK1NPC1RAB9A
SCHEMBL837307 0.81 PLK1 (1.00) CA1CA2PLK1NPC1RAB9A
SCHEMBL942259 0.81 CA1 (1.00) CA1CA2PLK1NPC1RAB9A
SCHEMBL6387259 0.81 MAPT (0.64) CA1CA2NPC1RAB9AALDH1A1
SCHEMBL6242767 0.79 CA1 (0.68) CA1CA2PLK1NPC1RAB9A
SCHEMBL8582216 0.79 CA1 (0.68) CA1CA2PLK1NPC1RAB9A
SCHEMBL8579520 0.79 CA1 (0.68) CA1CA2PLK1NPC1RAB9A
Hydrochloric Acid SCHEMBL8880498 0.79 CA1 (0.96) CA1CA2PLK1NPC1RAB9A
SCHEMBL407188 0.79 CA1 (1.00) CA1CA2PLK1NPC1RAB9A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
EP-1660089-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MYOCARDITIS SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-31 EP disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
US-4994489-A Ester derivatives of diarylacetylenes, their compositions and their use in acne treatment BASF AKTIENGESELLSCHAFT 1991-02-19 US disclosed
EP-0176035-B1 1-SUBSTITUTED TETRALIN DERIVATIVES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1990-06-06 EP disclosed
EP-0176032-B1 TETRALIN DERIVATIVES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1990-03-07 EP disclosed
EP-0176034-B1 DIARYL ACETYLENES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1989-08-30 EP disclosed
US-4806558-A Diarylacetylenes and their use in treating acne BASF AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
US-4801733-A SKIN DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1989-01-31 US disclosed
US-4760174-A Tetralin derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1988-07-26 US disclosed
EP-0176032-A2 Tetralin derivatives, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed
EP-0176035-A2 1-Substituted tetralin derivatives, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed
EP-0176034-A2 Diaryl acetylenes, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 EP 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 (3 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-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CA1 4558/4885CA2 2886/4885PLK1 3676/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 CA1 4057/4885CA2 3058/4885PLK1 3591/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CA1 3517/4885CA2 3996/4885PLK1 1502/4885

“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.